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

C23H30ClNO3 — CID 21151547

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride
SMILESCCC(=O)O.Cl.OC1(c2ccccc2)CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H23NO.C3H6O2.ClH/c22-20(18-8-2-1-3-9-18)10-12-21(13-11-20)19-14-16-6-4-5-7-17(16)15-19;1-2-3(4)5;/h1-9,19,22H,10-15H2;2H2,1H3,(H,4,5);1H
InChIKeyIIDFDJRCMCMOPN-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.04
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride (PubChem CID 21151547) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride
PubChem CID21151547
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride
SMILESCCC(=O)O.Cl.OC1(c2ccccc2)CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H23NO.C3H6O2.ClH/c22-20(18-8-2-1-3-9-18)10-12-21(13-11-20)19-14-16-6-4-5-7-17(16)15-19;1-2-3(4)5;/h1-9,19,22H,10-15H2;2H2,1H3,(H,4,5);1H
InChIKeyIIDFDJRCMCMOPN-UHFFFAOYSA-N
XLogP4.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-hydroxy-4-phenylpiperidin-1-yl)piperidin-1-yl]-2,2-diphenylbutan-1-one;hydrochloride
CID 67638719
1-cyclopropyl-4-(4-phenylphenyl)piperidin-4-ol
CID 10493965
3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15691846
1-[9-(2,3-dihydro-1H-inden-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3-dimethylbutan-1-one
CID 56918399
3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224799
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
1-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-phenylpiperidin-4-ol
CID 19919725
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride
CID 3064357
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890
bis(N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylpropanamide);oxalic acid
CID 3048542

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride (CID 21151547) is 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride is CCC(=O)O.Cl.OC1(c2ccccc2)CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride?
The InChIKey is IIDFDJRCMCMOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.C3H6O2.ClH/c22-20(18-8-2-1-3-9-18)10-12-21(13-11-20)19-14-16-6-4-5-7-17(16)15-19;1-2-3(4)5;/h1-9,19,22H,10-15H2;2H2,1H3,(H,4,5);1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride?
1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride is sourced from PubChem (CID 21151547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).