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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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).