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

C9H18ClNO — CID 53402874

IUPAC1-(4-chlorobutyl)piperidin-4-ol
SMILESOC1CCN(CCCCCl)CC1
InChIInChI=1S/C9H18ClNO/c10-5-1-2-6-11-7-3-9(12)4-8-11/h9,12H,1-8H2
InChIKeyVALGQQSWIAFHQL-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.46
Rot. Bonds4

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

1-(4-chlorobutyl)piperidin-4-ol (PubChem CID 53402874) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-(4-chlorobutyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-chlorobutyl)piperidin-4-ol
PubChem CID53402874
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-(4-chlorobutyl)piperidin-4-ol
SMILESOC1CCN(CCCCCl)CC1
InChIInChI=1S/C9H18ClNO/c10-5-1-2-6-11-7-3-9(12)4-8-11/h9,12H,1-8H2
InChIKeyVALGQQSWIAFHQL-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutyl)piperidin-4-ol?
The IUPAC name of 1-(4-chlorobutyl)piperidin-4-ol (CID 53402874) is 1-(4-chlorobutyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-chlorobutyl)piperidin-4-ol?
The canonical SMILES for 1-(4-chlorobutyl)piperidin-4-ol is OC1CCN(CCCCCl)CC1.
What is the InChIKey of 1-(4-chlorobutyl)piperidin-4-ol?
The InChIKey is VALGQQSWIAFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c10-5-1-2-6-11-7-3-9(12)4-8-11/h9,12H,1-8H2.
What are the key properties of 1-(4-chlorobutyl)piperidin-4-ol?
1-(4-chlorobutyl)piperidin-4-ol has a molecular weight of 191.70 g/mol, XLogP of 1.46, 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-4-ol is sourced from PubChem (CID 53402874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).