3-chloro-1-[(4-ethylphenyl)methyl]piperidine

C14H20ClN — CID 63386785

IUPAC3-chloro-1-[(4-ethylphenyl)methyl]piperidine
SMILESCCc1ccc(CN2CCCC(Cl)C2)cc1
InChIInChI=1S/C14H20ClN/c1-2-12-5-7-13(8-6-12)10-16-9-3-4-14(15)11-16/h5-8,14H,2-4,9-11H2,1H3
InChIKeyMUNSVKKIYRDIKY-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.45
Rot. Bonds3

About 3-chloro-1-[(4-ethylphenyl)methyl]piperidine

3-chloro-1-[(4-ethylphenyl)methyl]piperidine (PubChem CID 63386785) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-1-[(4-ethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-chloro-1-[(4-ethylphenyl)methyl]piperidine
PubChem CID63386785
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-chloro-1-[(4-ethylphenyl)methyl]piperidine
SMILESCCc1ccc(CN2CCCC(Cl)C2)cc1
InChIInChI=1S/C14H20ClN/c1-2-12-5-7-13(8-6-12)10-16-9-3-4-14(15)11-16/h5-8,14H,2-4,9-11H2,1H3
InChIKeyMUNSVKKIYRDIKY-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-ethylphenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 136559212
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
CID 63386784
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(4-ethylphenyl)methyl]piperidine?
The IUPAC name of 3-chloro-1-[(4-ethylphenyl)methyl]piperidine (CID 63386785) is 3-chloro-1-[(4-ethylphenyl)methyl]piperidine.
What is the SMILES notation for 3-chloro-1-[(4-ethylphenyl)methyl]piperidine?
The canonical SMILES for 3-chloro-1-[(4-ethylphenyl)methyl]piperidine is CCc1ccc(CN2CCCC(Cl)C2)cc1.
What is the InChIKey of 3-chloro-1-[(4-ethylphenyl)methyl]piperidine?
The InChIKey is MUNSVKKIYRDIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-12-5-7-13(8-6-12)10-16-9-3-4-14(15)11-16/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 3-chloro-1-[(4-ethylphenyl)methyl]piperidine?
3-chloro-1-[(4-ethylphenyl)methyl]piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(4-ethylphenyl)methyl]piperidine is sourced from PubChem (CID 63386785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).