(1-chloropiperidin-3-yl)methanol

C6H12ClNO — CID 123689444

IUPAC(1-chloropiperidin-3-yl)methanol
SMILESOCC1CCCN(Cl)C1
InChIInChI=1S/C6H12ClNO/c7-8-3-1-2-6(4-8)5-9/h6,9H,1-5H2
InChIKeyVHGIIJIKSFEHLJ-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.84
Rot. Bonds1

About (1-chloropiperidin-3-yl)methanol

(1-chloropiperidin-3-yl)methanol (PubChem CID 123689444) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1-chloropiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-chloropiperidin-3-yl)methanol
PubChem CID123689444
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1-chloropiperidin-3-yl)methanol
SMILESOCC1CCCN(Cl)C1
InChIInChI=1S/C6H12ClNO/c7-8-3-1-2-6(4-8)5-9/h6,9H,1-5H2
InChIKeyVHGIIJIKSFEHLJ-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-λ2-stannane
CID 174736400
CID 172570725
CID 172570725
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
CID 81037157

Frequently Asked Questions

What is the IUPAC name of (1-chloropiperidin-3-yl)methanol?
The IUPAC name of (1-chloropiperidin-3-yl)methanol (CID 123689444) is (1-chloropiperidin-3-yl)methanol.
What is the SMILES notation for (1-chloropiperidin-3-yl)methanol?
The canonical SMILES for (1-chloropiperidin-3-yl)methanol is OCC1CCCN(Cl)C1.
What is the InChIKey of (1-chloropiperidin-3-yl)methanol?
The InChIKey is VHGIIJIKSFEHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c7-8-3-1-2-6(4-8)5-9/h6,9H,1-5H2.
What are the key properties of (1-chloropiperidin-3-yl)methanol?
(1-chloropiperidin-3-yl)methanol has a molecular weight of 149.62 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloropiperidin-3-yl)methanol is sourced from PubChem (CID 123689444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).