1-(3-chloro-2-hydroxypropyl)piperidin-4-one

C8H14ClNO2 — CID 130130972

IUPAC1-(3-chloro-2-hydroxypropyl)piperidin-4-one
SMILESO=C1CCN(CC(O)CCl)CC1
InChIInChI=1S/C8H14ClNO2/c9-5-8(12)6-10-3-1-7(11)2-4-10/h8,12H,1-6H2
InChIKeyRFFDXOPPGDUPRN-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.25
Rot. Bonds3

About 1-(3-chloro-2-hydroxypropyl)piperidin-4-one

1-(3-chloro-2-hydroxypropyl)piperidin-4-one (PubChem CID 130130972) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxypropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxypropyl)piperidin-4-one
PubChem CID130130972
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name1-(3-chloro-2-hydroxypropyl)piperidin-4-one
SMILESO=C1CCN(CC(O)CCl)CC1
InChIInChI=1S/C8H14ClNO2/c9-5-8(12)6-10-3-1-7(11)2-4-10/h8,12H,1-6H2
InChIKeyRFFDXOPPGDUPRN-UHFFFAOYSA-N
XLogP0.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
1-(chloromethyl)piperidin-4-one
CID 53403090
1-(2,3-dihydroxypropyl)pyrrolidin-3-one
CID 67368319
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol
CID 112561635
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(2-methylbutyl)piperidin-4-one
CID 62105123

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxypropyl)piperidin-4-one?
The IUPAC name of 1-(3-chloro-2-hydroxypropyl)piperidin-4-one (CID 130130972) is 1-(3-chloro-2-hydroxypropyl)piperidin-4-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxypropyl)piperidin-4-one?
The canonical SMILES for 1-(3-chloro-2-hydroxypropyl)piperidin-4-one is O=C1CCN(CC(O)CCl)CC1.
What is the InChIKey of 1-(3-chloro-2-hydroxypropyl)piperidin-4-one?
The InChIKey is RFFDXOPPGDUPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c9-5-8(12)6-10-3-1-7(11)2-4-10/h8,12H,1-6H2.
What are the key properties of 1-(3-chloro-2-hydroxypropyl)piperidin-4-one?
1-(3-chloro-2-hydroxypropyl)piperidin-4-one has a molecular weight of 191.66 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxypropyl)piperidin-4-one is sourced from PubChem (CID 130130972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).