1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine

C16H25ClN2O — CID 60861458

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(C)c(Cl)cc2OC)CC1
InChIInChI=1S/C16H25ClN2O/c1-4-7-18-13-5-8-19(9-6-13)15-10-12(2)14(17)11-16(15)20-3/h10-11,13,18H,4-9H2,1-3H3
InChIKeyNTNXGKCMRCQMLD-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine

1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine (PubChem CID 60861458) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
PubChem CID60861458
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(C)c(Cl)cc2OC)CC1
InChIInChI=1S/C16H25ClN2O/c1-4-7-18-13-5-8-19(9-6-13)15-10-12(2)14(17)11-16(15)20-3/h10-11,13,18H,4-9H2,1-3H3
InChIKeyNTNXGKCMRCQMLD-UHFFFAOYSA-N
XLogP3.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 60861288
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512560
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110926
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
CID 60862451
1-[4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113080603
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
1-(4-chloro-2-methoxy-5-methylphenyl)-3,3-diethyl-1,4-diazepane
CID 64945348
N-[1-[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085140
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine (CID 60861458) is 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(C)c(Cl)cc2OC)CC1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine?
The InChIKey is NTNXGKCMRCQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-7-18-13-5-8-19(9-6-13)15-10-12(2)14(17)11-16(15)20-3/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine?
1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine has a molecular weight of 296.84 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 60861458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).