4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine

C14H20ClNO — CID 75357498

IUPAC4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(Cl)cc1CCC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-17-14-5-4-13(15)10-12(14)3-2-11-6-8-16-9-7-11/h4-5,10-11,16H,2-3,6-9H2,1H3
InChIKeyZPXUTFRYDKBILD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.28
Rot. Bonds4

About 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine

4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine (PubChem CID 75357498) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
PubChem CID75357498
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
SMILESCOc1ccc(Cl)cc1CCC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-17-14-5-4-13(15)10-12(14)3-2-11-6-8-16-9-7-11/h4-5,10-11,16H,2-3,6-9H2,1H3
InChIKeyZPXUTFRYDKBILD-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
CID 116925692
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-4-ylethanol
CID 146043433
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine (CID 75357498) is 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine is COc1ccc(Cl)cc1CCC1CCNCC1.
What is the InChIKey of 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine?
The InChIKey is ZPXUTFRYDKBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-14-5-4-13(15)10-12(14)3-2-11-6-8-16-9-7-11/h4-5,10-11,16H,2-3,6-9H2,1H3.
What are the key properties of 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine?
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 75357498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).