1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine

C24H28N2 — CID 59382224

IUPAC1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(Cc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H28N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-5,7-8,10-13,19H,6,9,14-18,20H2
InChIKeyMHMBHFCIADOKIQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.59
Rot. Bonds6

About 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine

1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine (PubChem CID 59382224) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
PubChem CID59382224
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(Cc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H28N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-5,7-8,10-13,19H,6,9,14-18,20H2
InChIKeyMHMBHFCIADOKIQ-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
CID 44768073
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140364
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(2-chloro-2,3-dihydrothiophen-5-yl)methyl]-4-(3-phenylpropyl)piperazine
CID 89030767
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine (CID 59382224) is 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCN(Cc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is MHMBHFCIADOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-5,7-8,10-13,19H,6,9,14-18,20H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine?
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 344.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 59382224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).