2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol

C16H24ClNO2 — CID 60690500

IUPAC2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c17-14-5-7-16(8-6-14)20-13-3-11-18-10-2-1-4-15(18)9-12-19/h5-8,15,19H,1-4,9-13H2
InChIKeyJXQKSHANEQSBKJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.35
Rot. Bonds7

About 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol

2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol (PubChem CID 60690500) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
PubChem CID60690500
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c17-14-5-7-16(8-6-14)20-13-3-11-18-10-2-1-4-15(18)9-12-19/h5-8,15,19H,1-4,9-13H2
InChIKeyJXQKSHANEQSBKJ-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 18621618
methyl 4-[(2R)-2-[[4-[(4-chlorophenyl)methyl]phenoxy]methyl]piperidin-1-yl]butanoate
CID 68999316

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol (CID 60690500) is 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol?
The InChIKey is JXQKSHANEQSBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c17-14-5-7-16(8-6-14)20-13-3-11-18-10-2-1-4-15(18)9-12-19/h5-8,15,19H,1-4,9-13H2.
What are the key properties of 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol?
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol has a molecular weight of 297.83 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60690500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).