1-phenyl-4-[(3R)-3-phenylbutyl]piperazine

C20H26N2 — CID 7047121

IUPAC1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
SMILESC[C@H](CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-18(19-8-4-2-5-9-19)12-13-21-14-16-22(17-15-21)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/t18-/m1/s1
InChIKeyCTSMNTKHEBETQQ-GOSISDBHSA-N
MW294.44 g/mol
LogP4.00
Rot. Bonds5

About 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine

1-phenyl-4-[(3R)-3-phenylbutyl]piperazine (PubChem CID 7047121) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
PubChem CID7047121
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
SMILESC[C@H](CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-18(19-8-4-2-5-9-19)12-13-21-14-16-22(17-15-21)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/t18-/m1/s1
InChIKeyCTSMNTKHEBETQQ-GOSISDBHSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
4-methyl-1-[(3S)-3-phenylbutyl]-1,4-diazepan-5-one
CID 42464655
2-[4-(3-phenylbutyl)piperazin-1-yl]propanoic acid
CID 65062408
1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine
CID 57008677
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
3-[4-(3-phenylbutyl)piperazin-1-yl]-1,2-benzoxazole
CID 70968716
4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64791800
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine?
The IUPAC name of 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine (CID 7047121) is 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine is C[C@H](CCN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine?
The InChIKey is CTSMNTKHEBETQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2/c1-18(19-8-4-2-5-9-19)12-13-21-14-16-22(17-15-21)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine?
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(3R)-3-phenylbutyl]piperazine is sourced from PubChem (CID 7047121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).