2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

C15H30N2 — CID 55208973

IUPAC2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-12(2)13-6-7-15(16)14(10-13)11-17-8-4-3-5-9-17/h12-15H,3-11,16H2,1-2H3
InChIKeyPHLZTWSNPRSJAF-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.87
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55208973) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID55208973
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-12(2)13-6-7-15(16)14(10-13)11-17-8-4-3-5-9-17/h12-15H,3-11,16H2,1-2H3
InChIKeyPHLZTWSNPRSJAF-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 55208973) is 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CN2CCCCC2)C1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PHLZTWSNPRSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)13-6-7-15(16)14(10-13)11-17-8-4-3-5-9-17/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55208973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).