4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol

C18H22N2O2 — CID 1446411

IUPAC4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
SMILESCOc1cccc(C2(O)CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C18H22N2O2/c1-22-17-4-2-3-16(13-17)18(21)7-11-20(12-8-18)14-15-5-9-19-10-6-15/h2-6,9-10,13,21H,7-8,11-12,14H2,1H3
InChIKeyCDDHGLJZRCNWHS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.57
Rot. Bonds4

About 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol

4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol (PubChem CID 1446411) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
PubChem CID1446411
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
SMILESCOc1cccc(C2(O)CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C18H22N2O2/c1-22-17-4-2-3-16(13-17)18(21)7-11-20(12-8-18)14-15-5-9-19-10-6-15/h2-6,9-10,13,21H,7-8,11-12,14H2,1H3
InChIKeyCDDHGLJZRCNWHS-UHFFFAOYSA-N
XLogP2.57
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747
4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
CID 66764282
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 46965093

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol (CID 1446411) is 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol is COc1cccc(C2(O)CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol?
The InChIKey is CDDHGLJZRCNWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-4-2-3-16(13-17)18(21)7-11-20(12-8-18)14-15-5-9-19-10-6-15/h2-6,9-10,13,21H,7-8,11-12,14H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol?
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol has a molecular weight of 298.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 1446411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).