1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine

C15H22ClNO2 — CID 82215428

IUPAC1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(C(Cl)CN2CCCCC2)c(OC)c1
InChIInChI=1S/C15H22ClNO2/c1-18-12-6-7-13(15(10-12)19-2)14(16)11-17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9,11H2,1-2H3
InChIKeyANPFNCVDDGJQSJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine

1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine (PubChem CID 82215428) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
PubChem CID82215428
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(C(Cl)CN2CCCCC2)c(OC)c1
InChIInChI=1S/C15H22ClNO2/c1-18-12-6-7-13(15(10-12)19-2)14(16)11-17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9,11H2,1-2H3
InChIKeyANPFNCVDDGJQSJ-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
CID 112539814
1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene
CID 61085585
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
CID 67674197
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
N-[(1S)-1-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-bis(4-fluorophenyl)-N-methylacetamide
CID 67672903
(2S)-1-(azepan-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588345
1-(2-chloroethyl)-4-[1-(2,4-dimethoxyphenyl)ethyl]piperazine
CID 4741631
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine (CID 82215428) is 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine is COc1ccc(C(Cl)CN2CCCCC2)c(OC)c1.
What is the InChIKey of 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine?
The InChIKey is ANPFNCVDDGJQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-18-12-6-7-13(15(10-12)19-2)14(16)11-17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine?
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine has a molecular weight of 283.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 82215428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).