N-(4-chloro-3-methoxyphenyl)piperidin-3-amine

C12H17ClN2O — CID 107621326

IUPACN-(4-chloro-3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cc(NC2CCCNC2)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-16-12-7-9(4-5-11(12)13)15-10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyMYTWTWGKCDUAJP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.51
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)piperidin-3-amine

N-(4-chloro-3-methoxyphenyl)piperidin-3-amine (PubChem CID 107621326) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)piperidin-3-amine
PubChem CID107621326
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(4-chloro-3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cc(NC2CCCNC2)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-16-12-7-9(4-5-11(12)13)15-10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyMYTWTWGKCDUAJP-UHFFFAOYSA-N
XLogP2.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
3-methoxy-4-(piperidin-3-ylamino)benzonitrile
CID 104848330
N-(3,4,5-trimethoxyphenyl)azepan-4-amine
CID 103980388
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
4-(azepan-4-ylamino)-2-methoxybenzamide
CID 23068034
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 107621247
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-[3-bromo-4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 107335985
N-(1H-pyrrol-3-yl)piperidin-3-amine
CID 83695048

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)piperidin-3-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)piperidin-3-amine (CID 107621326) is N-(4-chloro-3-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)piperidin-3-amine is COc1cc(NC2CCCNC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)piperidin-3-amine?
The InChIKey is MYTWTWGKCDUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-12-7-9(4-5-11(12)13)15-10-3-2-6-14-8-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)piperidin-3-amine?
N-(4-chloro-3-methoxyphenyl)piperidin-3-amine has a molecular weight of 240.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 107621326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).