1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine

C17H33N3 — CID 58786634

IUPAC1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine
SMILESC1CCC(CC(CN2CCCC2)N2CCNCC2)CC1
InChIInChI=1S/C17H33N3/c1-2-6-16(7-3-1)14-17(15-19-10-4-5-11-19)20-12-8-18-9-13-20/h16-18H,1-15H2
InChIKeyPFDWBVZRKBXXEW-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.33
Rot. Bonds5

About 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine

1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine (PubChem CID 58786634) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine
PubChem CID58786634
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine
SMILESC1CCC(CC(CN2CCCC2)N2CCNCC2)CC1
InChIInChI=1S/C17H33N3/c1-2-6-16(7-3-1)14-17(15-19-10-4-5-11-19)20-12-8-18-9-13-20/h16-18H,1-15H2
InChIKeyPFDWBVZRKBXXEW-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-Cyclohexyloctahydropyrrolo[1,2-a]pyrazine
CID 3360111
1-(2-Cyclohexylethyl)piperazine
CID 2735884
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
1-(3-Cyclohexylpropyl)piperazine
CID 2737393
2-Cyclohexyl-2-pyrrolidin-1-ylethanamine
CID 16792616
1-Cyclohexyl-2-pyrrolidin-1-ylethanamine
CID 77589306
Sdccgsbi-0662976.P001
CID 104744316
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67190119
(2S)-3-(4-fluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 91191509

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine?
The IUPAC name of 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine (CID 58786634) is 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine?
The canonical SMILES for 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine is C1CCC(CC(CN2CCCC2)N2CCNCC2)CC1.
What is the InChIKey of 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine?
The InChIKey is PFDWBVZRKBXXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-6-16(7-3-1)14-17(15-19-10-4-5-11-19)20-12-8-18-9-13-20/h16-18H,1-15H2.
What are the key properties of 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine?
1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine has a molecular weight of 279.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine is sourced from PubChem (CID 58786634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).