1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride

C23H30ClNO — CID 3048814

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc2c(c1)CCC2)N1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C23H29NO.ClH/c1-17(23(25)22-11-10-19-8-5-9-21(19)16-22)24-14-12-20(13-15-24)18-6-3-2-4-7-18;/h2-4,6-7,10-11,16-17,20,23,25H,5,8-9,12-15H2,1H3;1H
InChIKeyYWFJCTGGKFISNO-UHFFFAOYSA-N
MW371.95 g/mol
LogP4.90
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride

1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride (PubChem CID 3048814) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
PubChem CID3048814
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
SMILESCC(C(O)c1ccc2c(c1)CCC2)N1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C23H29NO.ClH/c1-17(23(25)22-11-10-19-8-5-9-21(19)16-22)24-14-12-20(13-15-24)18-6-3-2-4-7-18;/h2-4,6-7,10-11,16-17,20,23,25H,5,8-9,12-15H2,1H3;1H
InChIKeyYWFJCTGGKFISNO-UHFFFAOYSA-N
XLogP4.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride (CID 3048814) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride is CC(C(O)c1ccc2c(c1)CCC2)N1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride?
The InChIKey is YWFJCTGGKFISNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO.ClH/c1-17(23(25)22-11-10-19-8-5-9-21(19)16-22)24-14-12-20(13-15-24)18-6-3-2-4-7-18;/h2-4,6-7,10-11,16-17,20,23,25H,5,8-9,12-15H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride?
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride has a molecular weight of 371.95 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 3048814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).