1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine

C14H20ClNO — CID 82088353

IUPAC1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(C(CCl)N2CCCCC2)cc1
InChIInChI=1S/C14H20ClNO/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11H2,1H3
InChIKeyRGNWTUMVFMCQQY-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.46
Rot. Bonds4

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

1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine (PubChem CID 82088353) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
PubChem CID82088353
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(C(CCl)N2CCCCC2)cc1
InChIInChI=1S/C14H20ClNO/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11H2,1H3
InChIKeyRGNWTUMVFMCQQY-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
CID 82084005
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111027743
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 41013159
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride
CID 22019021
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine (CID 82088353) is 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine is COc1ccc(C(CCl)N2CCCCC2)cc1.
What is the InChIKey of 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine?
The InChIKey is RGNWTUMVFMCQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine?
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 82088353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).