1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one

C16H22N2O — CID 20722124

IUPAC1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESC=Cc1ccc(CN2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C16H22N2O/c1-3-14-5-7-15(8-6-14)13-17-9-11-18(12-10-17)16(19)4-2/h3,5-8H,1,4,9-13H2,2H3
InChIKeyJZRNEHIRXCBAPS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one

1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 20722124) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID20722124
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESC=Cc1ccc(CN2CCN(C(=O)CC)CC2)cc1
InChIInChI=1S/C16H22N2O/c1-3-14-5-7-15(8-6-14)13-17-9-11-18(12-10-17)16(19)4-2/h3,5-8H,1,4,9-13H2,2H3
InChIKeyJZRNEHIRXCBAPS-UHFFFAOYSA-N
XLogP2.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]propan-1-one
CID 28917407
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one
CID 20722123
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 163363652
1-[(4-ethenylphenyl)methyl]-4-methyl-1,4-diazepane
CID 166880014
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one (CID 20722124) is 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one is C=Cc1ccc(CN2CCN(C(=O)CC)CC2)cc1.
What is the InChIKey of 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is JZRNEHIRXCBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-14-5-7-15(8-6-14)13-17-9-11-18(12-10-17)16(19)4-2/h3,5-8H,1,4,9-13H2,2H3.
What are the key properties of 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one?
1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 258.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 20722124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).