(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine

C18H27ClN2 — CID 125466626

IUPAC(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine
SMILESN[C@H](c1cc(Cl)ccc1N1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27ClN2/c19-15-9-10-17(21-11-5-2-6-12-21)16(13-15)18(20)14-7-3-1-4-8-14/h9-10,13-14,18H,1-8,11-12,20H2/t18-/m0/s1
InChIKeyBIQLVIFUKCBIKA-SFHVURJKSA-N
MW306.88 g/mol
LogP4.91
Rot. Bonds3

About (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine

(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine (PubChem CID 125466626) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine
PubChem CID125466626
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine
SMILESN[C@H](c1cc(Cl)ccc1N1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27ClN2/c19-15-9-10-17(21-11-5-2-6-12-21)16(13-15)18(20)14-7-3-1-4-8-14/h9-10,13-14,18H,1-8,11-12,20H2/t18-/m0/s1
InChIKeyBIQLVIFUKCBIKA-SFHVURJKSA-N
XLogP4.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine
CID 58625280
2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
CID 117456058
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
2-[(S)-amino(cyclohexyl)methyl]-4-chloro-6-fluorophenol
CID 171255942
2-(azepan-1-yl)-4-chloroaniline
CID 79688976

Frequently Asked Questions

What is the IUPAC name of (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine?
The IUPAC name of (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine (CID 125466626) is (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine is N[C@H](c1cc(Cl)ccc1N1CCCCC1)C1CCCCC1.
What is the InChIKey of (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine?
The InChIKey is BIQLVIFUKCBIKA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27ClN2/c19-15-9-10-17(21-11-5-2-6-12-21)16(13-15)18(20)14-7-3-1-4-8-14/h9-10,13-14,18H,1-8,11-12,20H2/t18-/m0/s1.
What are the key properties of (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine?
(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine has a molecular weight of 306.88 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine is sourced from PubChem (CID 125466626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).