1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol

C18H21ClN2O — CID 51059263

IUPAC1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol
SMILESOC1(Cc2cccc(Cl)n2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O/c19-17-8-4-7-16(20-17)13-18(22)9-11-21(12-10-18)14-15-5-2-1-3-6-15/h1-8,22H,9-14H2
InChIKeyQBAGKMDNZDESTM-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.30
Rot. Bonds4

About 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol

1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol (PubChem CID 51059263) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol
PubChem CID51059263
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol
SMILESOC1(Cc2cccc(Cl)n2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21ClN2O/c19-17-8-4-7-16(20-17)13-18(22)9-11-21(12-10-18)14-15-5-2-1-3-6-15/h1-8,22H,9-14H2
InChIKeyQBAGKMDNZDESTM-UHFFFAOYSA-N
XLogP3.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.30
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

1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol
CID 159301074
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine
CID 79240655
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
3-amino-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324306
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol (CID 51059263) is 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol is OC1(Cc2cccc(Cl)n2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol?
The InChIKey is QBAGKMDNZDESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-17-8-4-7-16(20-17)13-18(22)9-11-21(12-10-18)14-15-5-2-1-3-6-15/h1-8,22H,9-14H2.
What are the key properties of 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol?
1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol has a molecular weight of 316.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol is sourced from PubChem (CID 51059263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).