3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline

C14H21ClN2O — CID 54806952

IUPAC3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
SMILESCOc1ccc(NCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-18-14-6-5-12(11-13(14)15)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyFSGVZRRTHXDACX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.25
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline

3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 54806952) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
PubChem CID54806952
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
SMILESCOc1ccc(NCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-18-14-6-5-12(11-13(14)15)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyFSGVZRRTHXDACX-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
1-(azepan-1-yl)-3-(3-chloro-4-methoxyanilino)propan-1-one
CID 109033534
4-methoxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82096092
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline (CID 54806952) is 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline is COc1ccc(NCCN2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is FSGVZRRTHXDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-14-6-5-12(11-13(14)15)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline?
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 268.79 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 54806952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).