(4-phenylphenyl)-piperazin-1-ylmethanone

C17H18N2O — CID 5345551

IUPAC(4-phenylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C17H18N2O/c20-17(19-12-10-18-11-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18H,10-13H2
InChIKeyNLAJSOUSZYQAGX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.40
Rot. Bonds2

About (4-phenylphenyl)-piperazin-1-ylmethanone

(4-phenylphenyl)-piperazin-1-ylmethanone (PubChem CID 5345551) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-phenylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-phenylphenyl)-piperazin-1-ylmethanone
PubChem CID5345551
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(4-phenylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C17H18N2O/c20-17(19-12-10-18-11-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18H,10-13H2
InChIKeyNLAJSOUSZYQAGX-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone
CID 151156326
1,4-diazepan-1-yl-(4-phenoxyphenyl)methanone;hydrochloride
CID 119414642
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
1-(4-phenylbenzoyl)azetidin-3-one
CID 67288829
4-phenylbenzoic acid;piperidine
CID 67667753
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-phenylphenyl)-piperazin-1-ylmethanone (CID 5345551) is (4-phenylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-phenylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-phenylphenyl)-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of (4-phenylphenyl)-piperazin-1-ylmethanone?
The InChIKey is NLAJSOUSZYQAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(19-12-10-18-11-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18H,10-13H2.
What are the key properties of (4-phenylphenyl)-piperazin-1-ylmethanone?
(4-phenylphenyl)-piperazin-1-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 5345551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).