4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol

C20H22ClNO — CID 3064334

IUPAC4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(23)10-12-22(13-11-20)19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,23H,10-14H2/t18-,19+/m0/s1
InChIKeyAMHWZKCDDBEZQL-RBUKOAKNSA-N
MW327.86 g/mol
LogP4.18
Rot. Bonds3

About 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol (PubChem CID 3064334) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol
PubChem CID3064334
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(23)10-12-22(13-11-20)19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,23H,10-14H2/t18-,19+/m0/s1
InChIKeyAMHWZKCDDBEZQL-RBUKOAKNSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol (CID 3064334) is 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol?
The InChIKey is AMHWZKCDDBEZQL-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(23)10-12-22(13-11-20)19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,23H,10-14H2/t18-,19+/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol has a molecular weight of 327.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-ol is sourced from PubChem (CID 3064334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).