1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol

C13H19ClN2O — CID 111113737

IUPAC1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cccnc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-10(17)11-4-7-16(8-5-11)9-12-3-2-6-15-13(12)14/h2-3,6,10-11,17H,4-5,7-9H2,1H3
InChIKeyNUUGLOFSBKLEEU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol

1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol (PubChem CID 111113737) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
PubChem CID111113737
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cccnc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-10(17)11-4-7-16(8-5-11)9-12-3-2-6-15-13(12)14/h2-3,6,10-11,17H,4-5,7-9H2,1H3
InChIKeyNUUGLOFSBKLEEU-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
2-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]butan-1-ol
CID 111489487
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639
1-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63103864
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
1-tert-butyl-4-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471632
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol (CID 111113737) is 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2cccnc2Cl)CC1.
What is the InChIKey of 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is NUUGLOFSBKLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(17)11-4-7-16(8-5-11)9-12-3-2-6-15-13(12)14/h2-3,6,10-11,17H,4-5,7-9H2,1H3.
What are the key properties of 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 254.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111113737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).