[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol

C15H22ClNO2 — CID 81152025

IUPAC[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
SMILESCCCOC1CCCN(c2ccc(CO)cc2Cl)C1
InChIInChI=1S/C15H22ClNO2/c1-2-8-19-13-4-3-7-17(10-13)15-6-5-12(11-18)9-14(15)16/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3
InChIKeyFKPFRCUEEJSMLI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.23
Rot. Bonds5

About [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol

[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol (PubChem CID 81152025) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
PubChem CID81152025
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
SMILESCCCOC1CCCN(c2ccc(CO)cc2Cl)C1
InChIInChI=1S/C15H22ClNO2/c1-2-8-19-13-4-3-7-17(10-13)15-6-5-12(11-18)9-14(15)16/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3
InChIKeyFKPFRCUEEJSMLI-UHFFFAOYSA-N
XLogP3.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
1-[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 81148807
3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76984144
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81143390
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623
1-[3-bromo-4-(3-propoxypiperidin-1-yl)phenyl]ethanol
CID 62910076
1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
CID 113437384
1-[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]ethanol
CID 62910229
1-[5-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967366
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
[3-chloro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 81151147

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol?
The IUPAC name of [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol (CID 81152025) is [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol is CCCOC1CCCN(c2ccc(CO)cc2Cl)C1.
What is the InChIKey of [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol?
The InChIKey is FKPFRCUEEJSMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-2-8-19-13-4-3-7-17(10-13)15-6-5-12(11-18)9-14(15)16/h5-6,9,13,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol?
[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol has a molecular weight of 283.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 81152025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).