1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine

C23H26N2 — CID 44768073

IUPAC1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H26N2/c1-19(21-7-3-2-4-8-21)25-15-13-24(14-16-25)18-20-11-12-22-9-5-6-10-23(22)17-20/h2-12,17,19H,13-16,18H2,1H3
InChIKeyIUYXZBIKBMPWJY-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.72
Rot. Bonds4

About 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine

1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine (PubChem CID 44768073) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
PubChem CID44768073
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H26N2/c1-19(21-7-3-2-4-8-21)25-15-13-24(14-16-25)18-20-11-12-22-9-5-6-10-23(22)17-20/h2-12,17,19H,13-16,18H2,1H3
InChIKeyIUYXZBIKBMPWJY-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-4-(1-phenylethyl)piperazine
CID 59382116
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 59382224
5-methyl-3-[[4-(1-naphthalen-2-ylethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51122237
1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630094
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine (CID 44768073) is 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine is CC(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine?
The InChIKey is IUYXZBIKBMPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-19(21-7-3-2-4-8-21)25-15-13-24(14-16-25)18-20-11-12-22-9-5-6-10-23(22)17-20/h2-12,17,19H,13-16,18H2,1H3.
What are the key properties of 1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine?
1-(naphthalen-2-ylmethyl)-4-(1-phenylethyl)piperazine has a molecular weight of 330.48 g/mol, XLogP of 4.72, 4 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-(1-phenylethyl)piperazine is sourced from PubChem (CID 44768073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).