1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol

C12H17ClN2O — CID 103898564

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Cl)nc2)CC1O
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-15(8-11(9)16)7-10-2-3-12(13)14-6-10/h2-3,6,9,11,16H,4-5,7-8H2,1H3
InChIKeyOQFSTEFTISJYKR-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.94
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol

1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol (PubChem CID 103898564) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
PubChem CID103898564
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Cl)nc2)CC1O
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-15(8-11(9)16)7-10-2-3-12(13)14-6-10/h2-3,6,9,11,16H,4-5,7-8H2,1H3
InChIKeyOQFSTEFTISJYKR-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
4-methyl-1-[[6-(propylamino)-3-pyridinyl]methyl]piperidin-3-ol
CID 102966649
1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 94476054
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
2-[(6-chloro-3-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 62112327
4-[(6-chloro-3-pyridinyl)methyl]piperazine-2-carboxylic acid
CID 71649664
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol (CID 103898564) is 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2ccc(Cl)nc2)CC1O.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is OQFSTEFTISJYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-4-5-15(8-11(9)16)7-10-2-3-12(13)14-6-10/h2-3,6,9,11,16H,4-5,7-8H2,1H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol?
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 240.73 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103898564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).