3-(4-cyclohexylpiperazin-1-yl)propan-1-amine

C13H27N3 — CID 12043292

IUPAC3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
SMILESNCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C13H27N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h13H,1-12,14H2
InChIKeySGWWVOPEVJJMDC-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.29
Rot. Bonds4

About 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine

3-(4-cyclohexylpiperazin-1-yl)propan-1-amine (PubChem CID 12043292) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
PubChem CID12043292
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
SMILESNCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C13H27N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h13H,1-12,14H2
InChIKeySGWWVOPEVJJMDC-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine
CID 112739137
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
1-cyclohexyl-4-(3-isocyanopropyl)piperazine
CID 3613896
3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine
CID 129497706
3-[4-(thiolan-3-yl)piperazin-1-yl]propan-1-amine
CID 121201870
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine
CID 134105477
1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
CID 64821605
4-[4-(1,1-dioxothiolan-3-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 54914463
4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62448794
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine (CID 12043292) is 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine is NCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine?
The InChIKey is SGWWVOPEVJJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h13H,1-12,14H2.
What are the key properties of 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine?
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 12043292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).