1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine

C71H148N10O2 — CID 158091794

IUPAC1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
SMILESCC(C)C(=O)N1CCC(N(C)C)C1.CC(C)C1CCN(C)CC1.CC(C)N1CCC(N(C)C)C1.CCC(=O)N1CCN(C(C)C)CC1.CCCCN1CCC(C(C)C)CC1.CCCN1CCC(C(C)C)CC1.CCN1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.C11H23N.2C10H20N2O.C10H21N.C9H20N2.C9H19N/c1-4-5-8-13-9-6-12(7-10-13)11(2)3;1-4-7-12-8-5-11(6-9-12)10(2)3;1-8(2)10(13)12-6-5-9(7-12)11(3)4;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-4-11-7-5-10(6-8-11)9(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9-4-6-10(3)7-5-9/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyFOEPWZWSBGYSCP-UHFFFAOYSA-N
MW1174.03 g/mol
LogP13.06
Rot. Bonds16

About 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine

1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine (PubChem CID 158091794) has the molecular formula C71H148N10O2 and a molecular weight of 1174.03 g/mol. Its IUPAC name is 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine.

Molecular Properties

Compound Name1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
PubChem CID158091794
Molecular FormulaC71H148N10O2
Molecular Weight1174.03 g/mol
Exact Mass1173.18
IUPAC Name1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
SMILESCC(C)C(=O)N1CCC(N(C)C)C1.CC(C)C1CCN(C)CC1.CC(C)N1CCC(N(C)C)C1.CCC(=O)N1CCN(C(C)C)CC1.CCCCN1CCC(C(C)C)CC1.CCCN1CCC(C(C)C)CC1.CCN1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.C11H23N.2C10H20N2O.C10H21N.C9H20N2.C9H19N/c1-4-5-8-13-9-6-12(7-10-13)11(2)3;1-4-7-12-8-5-11(6-9-12)10(2)3;1-8(2)10(13)12-6-5-9(7-12)11(3)4;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-4-11-7-5-10(6-8-11)9(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9-4-6-10(3)7-5-9/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyFOEPWZWSBGYSCP-UHFFFAOYSA-N
XLogP13.06
TPSA66.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.03
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 158534491
1-Ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
CID 158893731
1-Tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane
CID 159410648
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 159462569
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 160066406
N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide;butyl-methyl-(oxomethylidene)azanium;N-[2-(1-ethylpyrrolidin-2-yl)ethyl]acetamide;1-(4-methylpiperidin-1-yl)ethanone;N-(2-piperidin-1-ylethyl)acetamide;propane;N-(2-pyrrolidin-1-ylethyl)acetamide
CID 160116052
1-[4-(Dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;methane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 160472168
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 161474083
1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
CID 162048397
1-[2-[1-(3-Methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine;1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-4-(2-methylpropyl)piperazine;1-[3-[1-(3-methylbutyl)piperidin-4-yl]propyl]-4-(2-methylpropyl)piperazine;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]piperidin-1-yl]propan-1-one;1-(2-methylpropyl)-4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine;1-(2-methylpropyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-(2-methylpropyl)-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine
CID 167538507
1-(3-Methylbutyl)-4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine;1-(3-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-(3-methylbutyl)-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazin-1-yl]propan-1-one;1-(2-methylpropyl)-4-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine;1-(2-methylpropyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-(2-methylpropyl)-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine
CID 167692663
Ethane;2-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 177202057

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine?
The IUPAC name of 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine (CID 158091794) is 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine.
What is the SMILES notation for 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine?
The canonical SMILES for 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine is CC(C)C(=O)N1CCC(N(C)C)C1.CC(C)C1CCN(C)CC1.CC(C)N1CCC(N(C)C)C1.CCC(=O)N1CCN(C(C)C)CC1.CCCCN1CCC(C(C)C)CC1.CCCN1CCC(C(C)C)CC1.CCN1CCC(C(C)C)CC1.
What is the InChIKey of 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine?
The InChIKey is FOEPWZWSBGYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C11H23N.2C10H20N2O.C10H21N.C9H20N2.C9H19N/c1-4-5-8-13-9-6-12(7-10-13)11(2)3;1-4-7-12-8-5-11(6-9-12)10(2)3;1-8(2)10(13)12-6-5-9(7-12)11(3)4;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-4-11-7-5-10(6-8-11)9(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9-4-6-10(3)7-5-9/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3.
What are the key properties of 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine?
1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine has a molecular weight of 1174.03 g/mol, XLogP of 13.06, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine is sourced from PubChem (CID 158091794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).