[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C19H22N2O3 — CID 56811767

IUPAC[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3/c1-24-18-16(8-5-11-20-18)19(23)21-12-9-15(10-13-21)17(22)14-6-3-2-4-7-14/h2-8,11,15,17,22H,9-10,12-13H2,1H3
InChIKeyIBPDICDEQMZUHM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds4

About [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 56811767) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID56811767
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3/c1-24-18-16(8-5-11-20-18)19(23)21-12-9-15(10-13-21)17(22)14-6-3-2-4-7-14/h2-8,11,15,17,22H,9-10,12-13H2,1H3
InChIKeyIBPDICDEQMZUHM-UHFFFAOYSA-N
XLogP2.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 56811767) is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is IBPDICDEQMZUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-18-16(8-5-11-20-18)19(23)21-12-9-15(10-13-21)17(22)14-6-3-2-4-7-14/h2-8,11,15,17,22H,9-10,12-13H2,1H3.
What are the key properties of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 56811767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).