(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol

C20H25N3O — CID 87937359

IUPAC(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1N1CCN(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O/c24-20-15-21-14-19(20)23-12-10-22(11-13-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-21,24H,10-15H2/t19-,20-/m0/s1
InChIKeyXXLVALQDSWDGOA-PMACEKPBSA-N
MW323.44 g/mol
LogP1.81
Rot. Bonds3

About (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol

(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 87937359) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
PubChem CID87937359
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1N1CCN(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O/c24-20-15-21-14-19(20)23-12-10-22(11-13-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-21,24H,10-15H2/t19-,20-/m0/s1
InChIKeyXXLVALQDSWDGOA-PMACEKPBSA-N
XLogP1.81
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylphenyl)aziridine
CID 152682568
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol
CID 115023582
[(4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate
CID 45137552
(3S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 87937395
[(4R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate
CID 45137554
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid
CID 117038249
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
CID 122236780
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol (CID 87937359) is (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1N1CCN(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is XXLVALQDSWDGOA-PMACEKPBSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20-15-21-14-19(20)23-12-10-22(11-13-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-21,24H,10-15H2/t19-,20-/m0/s1.
What are the key properties of (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol?
(3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 323.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[4-(4-phenylphenyl)piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 87937359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).