4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride

C20H24ClNO — CID 3064357

IUPAC4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H23NO.ClH/c22-20(17-9-5-2-6-10-17)11-13-21(14-12-20)19-15-18(19)16-7-3-1-4-8-16;/h1-10,18-19,22H,11-15H2;1H/t18-,19+;/m0./s1
InChIKeyGFGSQVCRIOQGOZ-GRTNUQQKSA-N
MW329.87 g/mol
LogP3.95
Rot. Bonds3

About 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride

4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride (PubChem CID 3064357) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride
PubChem CID3064357
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H23NO.ClH/c22-20(17-9-5-2-6-10-17)11-13-21(14-12-20)19-15-18(19)16-7-3-1-4-8-16;/h1-10,18-19,22H,11-15H2;1H/t18-,19+;/m0./s1
InChIKeyGFGSQVCRIOQGOZ-GRTNUQQKSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride (CID 3064357) is 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride is Cl.OC1(c2ccccc2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride?
The InChIKey is GFGSQVCRIOQGOZ-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c22-20(17-9-5-2-6-10-17)11-13-21(14-12-20)19-15-18(19)16-7-3-1-4-8-16;/h1-10,18-19,22H,11-15H2;1H/t18-,19+;/m0./s1.
What are the key properties of 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride?
4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 3064357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).