1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine

C24H33N3 — CID 51636134

IUPAC1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
SMILESc1ccc(CCCN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H33N3/c1-3-9-22(10-4-1)11-7-15-25-16-8-14-24(21-25)27-19-17-26(18-20-27)23-12-5-2-6-13-23/h1-6,9-10,12-13,24H,7-8,11,14-21H2/t24-/m1/s1
InChIKeyXQZRTEJEVOZIHQ-XMMPIXPASA-N
MW363.55 g/mol
LogP3.91
Rot. Bonds6

About 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine

1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine (PubChem CID 51636134) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
PubChem CID51636134
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
SMILESc1ccc(CCCN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H33N3/c1-3-9-22(10-4-1)11-7-15-25-16-8-14-24(21-25)27-19-17-26(18-20-27)23-12-5-2-6-13-23/h1-6,9-10,12-13,24H,7-8,11,14-21H2/t24-/m1/s1
InChIKeyXQZRTEJEVOZIHQ-XMMPIXPASA-N
XLogP3.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45233236
1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine
CID 75102554
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
1-cycloheptyl-4-phenylpiperazine
CID 2846720
2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 56703574
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92641150
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine?
The IUPAC name of 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine (CID 51636134) is 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine is c1ccc(CCCN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine?
The InChIKey is XQZRTEJEVOZIHQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33N3/c1-3-9-22(10-4-1)11-7-15-25-16-8-14-24(21-25)27-19-17-26(18-20-27)23-12-5-2-6-13-23/h1-6,9-10,12-13,24H,7-8,11,14-21H2/t24-/m1/s1.
What are the key properties of 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine?
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine has a molecular weight of 363.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine is sourced from PubChem (CID 51636134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).