4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride

C20H25Cl2NO2 — CID 67700074

IUPAC4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCCCC2Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClNO2.ClH/c21-20-7-2-1-5-16(20)15-17-6-3-4-12-22(17)13-14-24-19-10-8-18(23)9-11-19;/h1-2,5,7-11,17,23H,3-4,6,12-15H2;1H
InChIKeyDHXCYZAUQXDSMI-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.94
Rot. Bonds6

About 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride

4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride (PubChem CID 67700074) has the molecular formula C20H25Cl2NO2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
PubChem CID67700074
Molecular FormulaC20H25Cl2NO2
Molecular Weight382.33 g/mol
Exact Mass381.13
IUPAC Name4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCCCC2Cc2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClNO2.ClH/c21-20-7-2-1-5-16(20)15-17-6-3-4-12-22(17)13-14-24-19-10-8-18(23)9-11-19;/h1-2,5,7-11,17,23H,3-4,6,12-15H2;1H
InChIKeyDHXCYZAUQXDSMI-UHFFFAOYSA-N
XLogP4.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol
CID 67700079
2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 18621618
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
CID 70293631
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
1-[2-(4-bromophenoxy)ethyl]-2-(chloromethyl)azepane
CID 116638587
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The IUPAC name of 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride (CID 67700074) is 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride.
What is the SMILES notation for 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The canonical SMILES for 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride is Cl.Oc1ccc(OCCN2CCCCC2Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The InChIKey is DHXCYZAUQXDSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2.ClH/c21-20-7-2-1-5-16(20)15-17-6-3-4-12-22(17)13-14-24-19-10-8-18(23)9-11-19;/h1-2,5,7-11,17,23H,3-4,6,12-15H2;1H.
What are the key properties of 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride has a molecular weight of 382.33 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride is sourced from PubChem (CID 67700074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).