2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C22H26N2O — CID 11407133

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c25-22-20(11-10-19-8-4-5-9-21(19)22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2
InChIKeyXBLBQWNQIGPMRE-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.25
Rot. Bonds4

About 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11407133) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11407133
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c25-22-20(11-10-19-8-4-5-9-21(19)22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2
InChIKeyXBLBQWNQIGPMRE-UHFFFAOYSA-N
XLogP3.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenyl-1-piperidinylmethanone
CID 593461
ZM-39923
CID 3797
ZM 39923-hydrochloride
CID 176406
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
Naphthalen-1-yl(piperidin-1-yl)methanone
CID 229390
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 9886130
1-Propanone, 3,3'-(1,4-piperazinediyl)bis(2-methyl-1-phenyl-
CID 97802
1,2-Diphenyl-3-(1-piperidinyl)-1-propanone
CID 89341
3-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11407131
1'-Benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261757

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 11407133) is 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XBLBQWNQIGPMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-20(11-10-19-8-4-5-9-21(19)22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 334.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11407133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).