(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine

C15H30N2 — CID 45254801

IUPAC(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine
SMILESCCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N
InChIInChI=1S/C15H30N2/c1-2-3-7-13-12-17(11-10-15(13)16)14-8-5-4-6-9-14/h13-15H,2-12,16H2,1H3/t13-,15+/m0/s1
InChIKeyMOCHGBZSRBVYPK-DZGCQCFKSA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds4

About (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine

(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine (PubChem CID 45254801) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine
PubChem CID45254801
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine
SMILESCCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N
InChIInChI=1S/C15H30N2/c1-2-3-7-13-12-17(11-10-15(13)16)14-8-5-4-6-9-14/h13-15H,2-12,16H2,1H3/t13-,15+/m0/s1
InChIKeyMOCHGBZSRBVYPK-DZGCQCFKSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine (CID 45254801) is (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine is CCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine?
The InChIKey is MOCHGBZSRBVYPK-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-3-7-13-12-17(11-10-15(13)16)14-8-5-4-6-9-14/h13-15H,2-12,16H2,1H3/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine?
(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine is sourced from PubChem (CID 45254801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).