2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine

C14H20ClNO — CID 63386922

IUPAC2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CN2CCCCC2CCl)c1
InChIInChI=1S/C14H20ClNO/c1-17-14-7-4-5-12(9-14)11-16-8-3-2-6-13(16)10-15/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3
InChIKeyIURHNOIJMBSIRF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.29
Rot. Bonds4

About 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine

2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine (PubChem CID 63386922) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
PubChem CID63386922
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CN2CCCCC2CCl)c1
InChIInChI=1S/C14H20ClNO/c1-17-14-7-4-5-12(9-14)11-16-8-3-2-6-13(16)10-15/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3
InChIKeyIURHNOIJMBSIRF-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine (CID 63386922) is 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine is COc1cccc(CN2CCCCC2CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
The InChIKey is IURHNOIJMBSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-14-7-4-5-12(9-14)11-16-8-3-2-6-13(16)10-15/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 63386922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).