4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine

C27H30ClNO2 — CID 70293631

IUPAC4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
SMILESClc1ccccc1CC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C27H30ClNO2/c28-27-9-5-4-8-24(27)20-22-14-16-29(17-15-22)18-19-30-25-10-12-26(13-11-25)31-21-23-6-2-1-3-7-23/h1-13,22H,14-21H2
InChIKeyHBIRSKBQCHNCDB-UHFFFAOYSA-N
MW436.00 g/mol
LogP6.25
Rot. Bonds9

About 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine

4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine (PubChem CID 70293631) has the molecular formula C27H30ClNO2 and a molecular weight of 436.00 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
PubChem CID70293631
Molecular FormulaC27H30ClNO2
Molecular Weight436.00 g/mol
Exact Mass435.20
IUPAC Name4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
SMILESClc1ccccc1CC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C27H30ClNO2/c28-27-9-5-4-8-24(27)20-22-14-16-29(17-15-22)18-19-30-25-10-12-26(13-11-25)31-21-23-6-2-1-3-7-23/h1-13,22H,14-21H2
InChIKeyHBIRSKBQCHNCDB-UHFFFAOYSA-N
XLogP6.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
1-(4-benzylpiperidin-1-yl)-3-(4-phenylmethoxyphenyl)propan-2-one
CID 142660542
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
3-[(2-fluorophenyl)methyl]-1-[2-(3-methyl-4-phenylmethoxyphenoxy)ethyl]pyrrolidine;hydrochloride
CID 70072153
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine (CID 70293631) is 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine is Clc1ccccc1CC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine?
The InChIKey is HBIRSKBQCHNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClNO2/c28-27-9-5-4-8-24(27)20-22-14-16-29(17-15-22)18-19-30-25-10-12-26(13-11-25)31-21-23-6-2-1-3-7-23/h1-13,22H,14-21H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine?
4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine has a molecular weight of 436.00 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 70293631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).