2-chloro-5-methylpiperidin-3-ol

C6H12ClNO — CID 176943303

IUPAC2-chloro-5-methylpiperidin-3-ol
SMILESCC1CNC(Cl)C(O)C1
InChIInChI=1S/C6H12ClNO/c1-4-2-5(9)6(7)8-3-4/h4-6,8-9H,2-3H2,1H3
InChIKeyZPNBWFUTAZMNCI-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.54
Rot. Bonds

About 2-chloro-5-methylpiperidin-3-ol

2-chloro-5-methylpiperidin-3-ol (PubChem CID 176943303) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name2-chloro-5-methylpiperidin-3-ol
PubChem CID176943303
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-5-methylpiperidin-3-ol
SMILESCC1CNC(Cl)C(O)C1
InChIInChI=1S/C6H12ClNO/c1-4-2-5(9)6(7)8-3-4/h4-6,8-9H,2-3H2,1H3
InChIKeyZPNBWFUTAZMNCI-UHFFFAOYSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
(2R,3S)-2-methylazetidin-3-ol;hydrochloride
CID 134691791
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
CID 101194744
3,5-dimethyl-2-propan-2-ylpiperidine;ethane
CID 176942573
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
2-[(4S)-4-methylpyrrolidin-2-yl]acetonitrile
CID 170704101
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpiperidin-3-ol?
The IUPAC name of 2-chloro-5-methylpiperidin-3-ol (CID 176943303) is 2-chloro-5-methylpiperidin-3-ol.
What is the SMILES notation for 2-chloro-5-methylpiperidin-3-ol?
The canonical SMILES for 2-chloro-5-methylpiperidin-3-ol is CC1CNC(Cl)C(O)C1.
What is the InChIKey of 2-chloro-5-methylpiperidin-3-ol?
The InChIKey is ZPNBWFUTAZMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-4-2-5(9)6(7)8-3-4/h4-6,8-9H,2-3H2,1H3.
What are the key properties of 2-chloro-5-methylpiperidin-3-ol?
2-chloro-5-methylpiperidin-3-ol has a molecular weight of 149.62 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpiperidin-3-ol is sourced from PubChem (CID 176943303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).