1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one

C19H24N2O — CID 60601295

IUPAC1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O/c1-2-6-19(22)21-13-11-20(12-14-21)15-17-9-5-8-16-7-3-4-10-18(16)17/h3-5,7-10H,2,6,11-15H2,1H3
InChIKeyKEODFUGKTOEREQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds4

About 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one

1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one (PubChem CID 60601295) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
PubChem CID60601295
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O/c1-2-6-19(22)21-13-11-20(12-14-21)15-17-9-5-8-16-7-3-4-10-18(16)17/h3-5,7-10H,2,6,11-15H2,1H3
InChIKeyKEODFUGKTOEREQ-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
2,2-dimethyl-N-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 37216695
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834694
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
tert-butyl N-[4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 55407681
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one (CID 60601295) is 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one?
The InChIKey is KEODFUGKTOEREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-6-19(22)21-13-11-20(12-14-21)15-17-9-5-8-16-7-3-4-10-18(16)17/h3-5,7-10H,2,6,11-15H2,1H3.
What are the key properties of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one?
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 60601295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).