1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one

C17H20N2O — CID 116924119

IUPAC1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C17H20N2O/c1-13(19-10-8-18-9-11-19)17(20)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,18H,8-11H2,1H3
InChIKeyCVCPGHFTUKKRTF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.32
Rot. Bonds3

About 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one

1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one (PubChem CID 116924119) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
PubChem CID116924119
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C17H20N2O/c1-13(19-10-8-18-9-11-19)17(20)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,18H,8-11H2,1H3
InChIKeyCVCPGHFTUKKRTF-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
CID 2845131
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
CID 70916217

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one (CID 116924119) is 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one is CC(C(=O)c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one?
The InChIKey is CVCPGHFTUKKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(19-10-8-18-9-11-19)17(20)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,18H,8-11H2,1H3.
What are the key properties of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one?
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116924119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).