1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine

C18H38N4 — CID 167093808

IUPAC1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
SMILESCC1CN(C(C)(C)C[C@H]2CN(C(C)C)CCN2C)CCN1C
InChIInChI=1S/C18H38N4/c1-15(2)21-10-8-20(7)17(14-21)12-18(4,5)22-11-9-19(6)16(3)13-22/h15-17H,8-14H2,1-7H3/t16?,17-/m0/s1
InChIKeySECBWJNXEGEOJI-DJNXLDHESA-N
MW310.53 g/mol
LogP1.82
Rot. Bonds4

About 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine

1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine (PubChem CID 167093808) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
PubChem CID167093808
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
SMILESCC1CN(C(C)(C)C[C@H]2CN(C(C)C)CCN2C)CCN1C
InChIInChI=1S/C18H38N4/c1-15(2)21-10-8-20(7)17(14-21)12-18(4,5)22-11-9-19(6)16(3)13-22/h15-17H,8-14H2,1-7H3/t16?,17-/m0/s1
InChIKeySECBWJNXEGEOJI-DJNXLDHESA-N
XLogP1.82
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158704033
(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
CID 130220758
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 63603154
1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
CID 139518624
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
2-(2,2-difluoroethyl)-1-[2-methyl-2-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 146439850

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
The IUPAC name of 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine (CID 167093808) is 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine.
What is the SMILES notation for 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
The canonical SMILES for 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine is CC1CN(C(C)(C)C[C@H]2CN(C(C)C)CCN2C)CCN1C.
What is the InChIKey of 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
The InChIKey is SECBWJNXEGEOJI-DJNXLDHESA-N. The full InChI is InChI=1S/C18H38N4/c1-15(2)21-10-8-20(7)17(14-21)12-18(4,5)22-11-9-19(6)16(3)13-22/h15-17H,8-14H2,1-7H3/t16?,17-/m0/s1.
What are the key properties of 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine?
1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine has a molecular weight of 310.53 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[2-methyl-1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine is sourced from PubChem (CID 167093808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).