2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol

C13H19ClN2O — CID 62470433

IUPAC2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c14-13-12(4-1-6-15-13)10-16-7-2-3-11(9-16)5-8-17/h1,4,6,11,17H,2-3,5,7-10H2
InChIKeyQLBKVWOJFIKCQJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds4

About 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol

2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol (PubChem CID 62470433) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
PubChem CID62470433
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C13H19ClN2O/c14-13-12(4-1-6-15-13)10-16-7-2-3-11(9-16)5-8-17/h1,4,6,11,17H,2-3,5,7-10H2
InChIKeyQLBKVWOJFIKCQJ-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.33
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

2-[1-[(2-hydrazinyl-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107228801
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol (CID 62470433) is 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol is OCCC1CCCN(Cc2cccnc2Cl)C1.
What is the InChIKey of 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is QLBKVWOJFIKCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-13-12(4-1-6-15-13)10-16-7-2-3-11(9-16)5-8-17/h1,4,6,11,17H,2-3,5,7-10H2.
What are the key properties of 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol?
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 254.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62470433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).