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

C20H25Cl2NO2 — CID 23294474

IUPAC4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCC(C(Cl)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24ClNO2.ClH/c21-20(16-4-2-1-3-5-16)17-10-12-22(13-11-17)14-15-24-19-8-6-18(23)7-9-19;/h1-9,17,20,23H,10-15H2;1H
InChIKeyDIBVBBJMKVPDOH-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.88
Rot. Bonds6

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

4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride (PubChem CID 23294474) has the molecular formula C20H25Cl2NO2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
PubChem CID23294474
Molecular FormulaC20H25Cl2NO2
Molecular Weight382.33 g/mol
Exact Mass381.13
IUPAC Name4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCC(C(Cl)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24ClNO2.ClH/c21-20(16-4-2-1-3-5-16)17-10-12-22(13-11-17)14-15-24-19-8-6-18(23)7-9-19;/h1-9,17,20,23H,10-15H2;1H
InChIKeyDIBVBBJMKVPDOH-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol
CID 67700079
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
CID 70081398
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 138996283
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 57145177
4-[(Z)-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol;hydrochloride
CID 146566701
(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanamine;hydrate;dihydrochloride
CID 70082267

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The IUPAC name of 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride (CID 23294474) is 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride.
What is the SMILES notation for 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The canonical SMILES for 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride is Cl.Oc1ccc(OCCN2CCC(C(Cl)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The InChIKey is DIBVBBJMKVPDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2.ClH/c21-20(16-4-2-1-3-5-16)17-10-12-22(13-11-17)14-15-24-19-8-6-18(23)7-9-19;/h1-9,17,20,23H,10-15H2;1H.
What are the key properties of 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride has a molecular weight of 382.33 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride is sourced from PubChem (CID 23294474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).