1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol

C22H29NO2 — CID 4963220

IUPAC1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H29NO2/c1-18-9-8-14-23(15-18)16-21(24)17-25-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-22,24H,8-9,14-17H2,1H3
InChIKeyHJNSVKDBEAPXGV-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.89
Rot. Bonds7

About 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol

1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol (PubChem CID 4963220) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol
PubChem CID4963220
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H29NO2/c1-18-9-8-14-23(15-18)16-21(24)17-25-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-22,24H,8-9,14-17H2,1H3
InChIKeyHJNSVKDBEAPXGV-UHFFFAOYSA-N
XLogP3.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol (CID 4963220) is 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol is CC1CCCN(CC(O)COC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is HJNSVKDBEAPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-18-9-8-14-23(15-18)16-21(24)17-25-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-22,24H,8-9,14-17H2,1H3.
What are the key properties of 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol?
1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(3-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 4963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).