1-(chloromethyl)piperidin-3-ol

C6H12ClNO — CID 53403087

IUPAC1-(chloromethyl)piperidin-3-ol
SMILESOC1CCCN(CCl)C1
InChIInChI=1S/C6H12ClNO/c7-5-8-3-1-2-6(9)4-8/h6,9H,1-5H2
InChIKeyXXTXOMDNNHBLSH-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.64
Rot. Bonds1

About 1-(chloromethyl)piperidin-3-ol

1-(chloromethyl)piperidin-3-ol (PubChem CID 53403087) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-(chloromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(chloromethyl)piperidin-3-ol
PubChem CID53403087
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name1-(chloromethyl)piperidin-3-ol
SMILESOC1CCCN(CCl)C1
InChIInChI=1S/C6H12ClNO/c7-5-8-3-1-2-6(9)4-8/h6,9H,1-5H2
InChIKeyXXTXOMDNNHBLSH-UHFFFAOYSA-N
XLogP0.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
3-(3-hydroxypiperidin-1-yl)-2-methylpropanenitrile
CID 60649366
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
1-(nitromethyl)piperidin-3-ol
CID 130682637
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
CID 115919280
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)piperidin-3-ol?
The IUPAC name of 1-(chloromethyl)piperidin-3-ol (CID 53403087) is 1-(chloromethyl)piperidin-3-ol.
What is the SMILES notation for 1-(chloromethyl)piperidin-3-ol?
The canonical SMILES for 1-(chloromethyl)piperidin-3-ol is OC1CCCN(CCl)C1.
What is the InChIKey of 1-(chloromethyl)piperidin-3-ol?
The InChIKey is XXTXOMDNNHBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c7-5-8-3-1-2-6(9)4-8/h6,9H,1-5H2.
What are the key properties of 1-(chloromethyl)piperidin-3-ol?
1-(chloromethyl)piperidin-3-ol has a molecular weight of 149.62 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)piperidin-3-ol is sourced from PubChem (CID 53403087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).