1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine

C22H30N2 — CID 57008677

IUPAC1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine
SMILESCCN1CCN(CCC(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H30N2/c1-3-23-15-17-24(18-16-23)14-13-19(2)20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,19H,3,13-18H2,1-2H3
InChIKeyYDOODNOQXRXCDA-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.48
Rot. Bonds6

About 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine

1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine (PubChem CID 57008677) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine
PubChem CID57008677
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine
SMILESCCN1CCN(CCC(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H30N2/c1-3-23-15-17-24(18-16-23)14-13-19(2)20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,19H,3,13-18H2,1-2H3
InChIKeyYDOODNOQXRXCDA-UHFFFAOYSA-N
XLogP4.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
1-hexan-2-yl-4-phenylbenzene
CID 57161678
4-methyl-1-[(3S)-3-phenylbutyl]-1,4-diazepan-5-one
CID 42464655
2-[4-(3-phenylbutyl)piperazin-1-yl]propanoic acid
CID 65062408
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine?
The IUPAC name of 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine (CID 57008677) is 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine?
The canonical SMILES for 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine is CCN1CCN(CCC(C)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine?
The InChIKey is YDOODNOQXRXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-23-15-17-24(18-16-23)14-13-19(2)20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,19H,3,13-18H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine?
1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine has a molecular weight of 322.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine is sourced from PubChem (CID 57008677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).