4-chloro-1-methylpiperidin-2-ol

C6H12ClNO — CID 139998888

IUPAC4-chloro-1-methylpiperidin-2-ol
SMILESCN1CCC(Cl)CC1O
InChIInChI=1S/C6H12ClNO/c1-8-3-2-5(7)4-6(8)9/h5-6,9H,2-4H2,1H3
InChIKeyWRUOMZJVEWAFAK-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.64
Rot. Bonds

About 4-chloro-1-methylpiperidin-2-ol

4-chloro-1-methylpiperidin-2-ol (PubChem CID 139998888) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 4-chloro-1-methylpiperidin-2-ol.

Molecular Properties

Compound Name4-chloro-1-methylpiperidin-2-ol
PubChem CID139998888
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name4-chloro-1-methylpiperidin-2-ol
SMILESCN1CCC(Cl)CC1O
InChIInChI=1S/C6H12ClNO/c1-8-3-2-5(7)4-6(8)9/h5-6,9H,2-4H2,1H3
InChIKeyWRUOMZJVEWAFAK-UHFFFAOYSA-N
XLogP0.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpiperidin-2-ol?
The IUPAC name of 4-chloro-1-methylpiperidin-2-ol (CID 139998888) is 4-chloro-1-methylpiperidin-2-ol.
What is the SMILES notation for 4-chloro-1-methylpiperidin-2-ol?
The canonical SMILES for 4-chloro-1-methylpiperidin-2-ol is CN1CCC(Cl)CC1O.
What is the InChIKey of 4-chloro-1-methylpiperidin-2-ol?
The InChIKey is WRUOMZJVEWAFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-8-3-2-5(7)4-6(8)9/h5-6,9H,2-4H2,1H3.
What are the key properties of 4-chloro-1-methylpiperidin-2-ol?
4-chloro-1-methylpiperidin-2-ol has a molecular weight of 149.62 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpiperidin-2-ol is sourced from PubChem (CID 139998888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).