3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine

C15H30N2 — CID 134105477

IUPAC3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C15H30N2/c16-9-4-10-17-11-7-15(8-12-17)13-14-5-2-1-3-6-14/h14-15H,1-13,16H2
InChIKeyNEEPVAFXJDGGFZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds5

About 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine

3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine (PubChem CID 134105477) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine
PubChem CID134105477
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C15H30N2/c16-9-4-10-17-11-7-15(8-12-17)13-14-5-2-1-3-6-14/h14-15H,1-13,16H2
InChIKeyNEEPVAFXJDGGFZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine (CID 134105477) is 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine is NCCCN1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is NEEPVAFXJDGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c16-9-4-10-17-11-7-15(8-12-17)13-14-5-2-1-3-6-14/h14-15H,1-13,16H2.
What are the key properties of 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine?
3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 134105477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).