1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine

C28H34N2S — CID 90389497

IUPAC1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(CCSC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKeyRODKUAZXPQCDNN-UHFFFAOYSA-N
MW430.66 g/mol
LogP5.76
Rot. Bonds10

About 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine

1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine (PubChem CID 90389497) has the molecular formula C28H34N2S and a molecular weight of 430.66 g/mol. Its IUPAC name is 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
PubChem CID90389497
Molecular FormulaC28H34N2S
Molecular Weight430.66 g/mol
Exact Mass430.24
IUPAC Name1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(CCSC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKeyRODKUAZXPQCDNN-UHFFFAOYSA-N
XLogP5.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
1-butyl-4-(1,3-diphenylpropyl)piperazine
CID 67570000
4-[2-[(4-hexylsulfanylphenyl)-phenylmethyl]sulfanylethyl]morpholine
CID 154362677
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal
CID 100932421
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 59382224
1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine (CID 90389497) is 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCN(CCSC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is RODKUAZXPQCDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2.
What are the key properties of 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine?
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 430.66 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 90389497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).