1-(4-chlorobutyl)piperidin-2-ol

C9H18ClNO — CID 53402871

IUPAC1-(4-chlorobutyl)piperidin-2-ol
SMILESOC1CCCCN1CCCCCl
InChIInChI=1S/C9H18ClNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h9,12H,1-8H2
InChIKeyPGTGNDDVHYKWPT-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.81
Rot. Bonds4

About 1-(4-chlorobutyl)piperidin-2-ol

1-(4-chlorobutyl)piperidin-2-ol (PubChem CID 53402871) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-(4-chlorobutyl)piperidin-2-ol.

Molecular Properties

Compound Name1-(4-chlorobutyl)piperidin-2-ol
PubChem CID53402871
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-(4-chlorobutyl)piperidin-2-ol
SMILESOC1CCCCN1CCCCCl
InChIInChI=1S/C9H18ClNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h9,12H,1-8H2
InChIKeyPGTGNDDVHYKWPT-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-(3-Chloropropyl)piperidin-4-yl)ethanol
CID 40424327
1-Chloro-4-piperidin-1-ylbutan-1-ol
CID 57095058
3-(3-Chloropiperidin-1-yl)propan-1-ol
CID 67280997
2-Chloro-1-methyl-1-propylpiperidin-1-ium-2-ol chloride
CID 67710637
3-(2-Chloro-1-methylpiperidin-1-ium-1-yl)propan-1-ol chloride
CID 67710640
4-Chloro-1-methylpiperidin-2-ol
CID 139998888
3-Chloro-1-piperidin-1-ylpropan-1-ol
CID 152158473
1-Chloro-4-piperidin-1-ylbutan-1-ol;hydrochloride
CID 173327510
1-(2-Chloroethyl)piperidin-2-ol
CID 53402553
1-(3-Chloropropyl)piperidin-2-ol
CID 53402739
1-(4-Chlorobutyl)piperidin-4-ol
CID 53402874
2-Chloro-1-methyl-1-propylpiperidin-1-ium-2-ol
CID 53785536

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutyl)piperidin-2-ol?
The IUPAC name of 1-(4-chlorobutyl)piperidin-2-ol (CID 53402871) is 1-(4-chlorobutyl)piperidin-2-ol.
What is the SMILES notation for 1-(4-chlorobutyl)piperidin-2-ol?
The canonical SMILES for 1-(4-chlorobutyl)piperidin-2-ol is OC1CCCCN1CCCCCl.
What is the InChIKey of 1-(4-chlorobutyl)piperidin-2-ol?
The InChIKey is PGTGNDDVHYKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h9,12H,1-8H2.
What are the key properties of 1-(4-chlorobutyl)piperidin-2-ol?
1-(4-chlorobutyl)piperidin-2-ol has a molecular weight of 191.70 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutyl)piperidin-2-ol is sourced from PubChem (CID 53402871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).