[1-(3-chloropropyl)piperidin-2-yl]methanol

C9H18ClNO — CID 61407786

IUPAC[1-(3-chloropropyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCCl
InChIInChI=1S/C9H18ClNO/c10-5-3-7-11-6-2-1-4-9(11)8-12/h9,12H,1-8H2
InChIKeyFKBZPSAJMHSTJQ-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.46
Rot. Bonds4

About [1-(3-chloropropyl)piperidin-2-yl]methanol

[1-(3-chloropropyl)piperidin-2-yl]methanol (PubChem CID 61407786) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is [1-(3-chloropropyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloropropyl)piperidin-2-yl]methanol
PubChem CID61407786
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name[1-(3-chloropropyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCCl
InChIInChI=1S/C9H18ClNO/c10-5-3-7-11-6-2-1-4-9(11)8-12/h9,12H,1-8H2
InChIKeyFKBZPSAJMHSTJQ-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
[1-(5-chloro-3-methylpentyl)azepan-2-yl]methanol
CID 116637118
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloropropyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-chloropropyl)piperidin-2-yl]methanol (CID 61407786) is [1-(3-chloropropyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-chloropropyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-chloropropyl)piperidin-2-yl]methanol is OCC1CCCCN1CCCCl.
What is the InChIKey of [1-(3-chloropropyl)piperidin-2-yl]methanol?
The InChIKey is FKBZPSAJMHSTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c10-5-3-7-11-6-2-1-4-9(11)8-12/h9,12H,1-8H2.
What are the key properties of [1-(3-chloropropyl)piperidin-2-yl]methanol?
[1-(3-chloropropyl)piperidin-2-yl]methanol 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-(3-chloropropyl)piperidin-2-yl]methanol is sourced from PubChem (CID 61407786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).