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

C15H31ClN2 — CID 45254800

IUPAC(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride
SMILESCCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N.Cl
InChIInChI=1S/C15H30N2.ClH/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;1H/t13-,15+;/m0./s1
InChIKeyDQTGNKGDLBEUJI-NQQJLSKUSA-N
MW274.88 g/mol
LogP3.58
Rot. Bonds4

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

(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride (PubChem CID 45254800) has the molecular formula C15H31ClN2 and a molecular weight of 274.88 g/mol. Its IUPAC name is (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride
PubChem CID45254800
Molecular FormulaC15H31ClN2
Molecular Weight274.88 g/mol
Exact Mass274.22
IUPAC Name(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride
SMILESCCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N.Cl
InChIInChI=1S/C15H30N2.ClH/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;1H/t13-,15+;/m0./s1
InChIKeyDQTGNKGDLBEUJI-NQQJLSKUSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.88
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine
CID 45254801
(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine
CID 90238924
1-(azetidin-3-yl)-3-ethylpiperidin-4-amine;hydrochloride
CID 130667934
3-ethyl-1-spiro[4.5]decan-8-ylpiperidin-4-amine
CID 114818939
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
3-ethyl-1-(3-methylcyclopentyl)piperidin-4-amine
CID 81457825
2-pentylcyclohexan-1-amine
CID 23132313
1-cyclohexyl-5-propylpiperidin-3-amine
CID 83989283
2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
1-cyclooctyl-4-methylpyrrolidin-3-amine
CID 103575307

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride?
The IUPAC name of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride (CID 45254800) is (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride?
The canonical SMILES for (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride is CCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N.Cl.
What is the InChIKey of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride?
The InChIKey is DQTGNKGDLBEUJI-NQQJLSKUSA-N. The full InChI is InChI=1S/C15H30N2.ClH/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;1H/t13-,15+;/m0./s1.
What are the key properties of (3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride?
(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride has a molecular weight of 274.88 g/mol, XLogP of 3.58, 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;hydrochloride is sourced from PubChem (CID 45254800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).