1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine

C109H225N19 — CID 158499748

IUPAC1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
SMILESCC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/3C19H39N3.C18H38N4.2C17H35N3/c2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;7-16H2,1-6H3;2*15H,7-14H2,1-6H3/t2*16-;;;2*15-/m10..10/s1
InChIKeyHJSYFWGQFDXEMF-AWHPSPSPSA-N
MW1802.13 g/mol
LogP16.77
Rot. Bonds14

About 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine

1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine (PubChem CID 158499748) has the molecular formula C109H225N19 and a molecular weight of 1802.13 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
PubChem CID158499748
Molecular FormulaC109H225N19
Molecular Weight1802.13 g/mol
Exact Mass1800.82
IUPAC Name1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
SMILESCC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/3C19H39N3.C18H38N4.2C17H35N3/c2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;7-16H2,1-6H3;2*15H,7-14H2,1-6H3/t2*16-;;;2*15-/m10..10/s1
InChIKeyHJSYFWGQFDXEMF-AWHPSPSPSA-N
XLogP16.77
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.13
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]methyl]-3-[(3S)-4-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(dimethylamino)methyl]piperazin-1-yl]-N,3-dimethylbutan-1-amine
CID 156187636
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
1-[2-(1-Tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 157339461
2,2-dimethyl-1-propan-2-ylpiperazine;2,3-dimethyl-1-propan-2-ylpiperazine;(2S,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine
CID 157528600
1-Ethyl-4-methylpiperazine;tris(1-ethyl-4-methylpiperidine);bis(1-ethyl-3-methylpyrrolidine);1-ethylpiperidine;1-ethylpyrrolidine
CID 157530982
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;tris(4-methyl-1-propan-2-ylpiperidine);tris(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157731769
1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 157814797
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)guanidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
CID 158056676
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane
CID 158178299
4-Tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
CID 158526159
2,2-Dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
CID 159395728

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine (CID 158499748) is 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine is CC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine?
The InChIKey is HJSYFWGQFDXEMF-AWHPSPSPSA-N. The full InChI is InChI=1S/3C19H39N3.C18H38N4.2C17H35N3/c2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;7-16H2,1-6H3;2*15H,7-14H2,1-6H3/t2*16-;;;2*15-/m10..10/s1.
What are the key properties of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine?
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine has a molecular weight of 1802.13 g/mol, XLogP of 16.77, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 158499748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).