1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol

C22H29NO2 — CID 159181965

IUPAC1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)C(O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29NO2/c1-17(20-8-10-21(25-2)11-9-20)22(24)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h3-11,17,19,22,24H,12-16H2,1-2H3
InChIKeyKMZXBCAXINQDDT-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 159181965) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID159181965
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)C(O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29NO2/c1-17(20-8-10-21(25-2)11-9-20)22(24)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h3-11,17,19,22,24H,12-16H2,1-2H3
InChIKeyKMZXBCAXINQDDT-UHFFFAOYSA-N
XLogP4.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258806
[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane
CID 91733227
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
4-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
CID 15233109
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol (CID 159181965) is 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(C)C(O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is KMZXBCAXINQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(20-8-10-21(25-2)11-9-20)22(24)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h3-11,17,19,22,24H,12-16H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol?
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 159181965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).