2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol

C16H24ClNO2 — CID 82215107

IUPAC2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
SMILESCOc1ccccc1C(Cl)CN1CCCCC1CCO
InChIInChI=1S/C16H24ClNO2/c1-20-16-8-3-2-7-14(16)15(17)12-18-10-5-4-6-13(18)9-11-19/h2-3,7-8,13,15,19H,4-6,9-12H2,1H3
InChIKeyKVAFQJGHVVYJKS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.21
Rot. Bonds6

About 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol

2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol (PubChem CID 82215107) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
PubChem CID82215107
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
SMILESCOc1ccccc1C(Cl)CN1CCCCC1CCO
InChIInChI=1S/C16H24ClNO2/c1-20-16-8-3-2-7-14(16)15(17)12-18-10-5-4-6-13(18)9-11-19/h2-3,7-8,13,15,19H,4-6,9-12H2,1H3
InChIKeyKVAFQJGHVVYJKS-UHFFFAOYSA-N
XLogP3.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.21
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

2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82215012
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
CID 82214719
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
1-(2-chloro-2-phenylethyl)-2-ethylpiperidine
CID 82214216
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide
CID 64536512
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-2-yl]methanol
CID 55021694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol (CID 82215107) is 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol is COc1ccccc1C(Cl)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol?
The InChIKey is KVAFQJGHVVYJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-20-16-8-3-2-7-14(16)15(17)12-18-10-5-4-6-13(18)9-11-19/h2-3,7-8,13,15,19H,4-6,9-12H2,1H3.
What are the key properties of 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol?
2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol has a molecular weight of 297.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 82215107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).