1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine

C24H28N2O — CID 92967649

IUPAC1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
SMILESCOc1ccc2cc([C@H](C)CN3CCN(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C24H28N2O/c1-19(20-8-9-22-17-24(27-2)11-10-21(22)16-20)18-25-12-14-26(15-13-25)23-6-4-3-5-7-23/h3-11,16-17,19H,12-15,18H2,1-2H3/t19-/m1/s1
InChIKeyZMKYOJBMHGJESB-LJQANCHMSA-N
MW360.50 g/mol
LogP4.77
Rot. Bonds5

About 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine

1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine (PubChem CID 92967649) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
PubChem CID92967649
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
SMILESCOc1ccc2cc([C@H](C)CN3CCN(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C24H28N2O/c1-19(20-8-9-22-17-24(27-2)11-10-21(22)16-20)18-25-12-14-26(15-13-25)23-6-4-3-5-7-23/h3-11,16-17,19H,12-15,18H2,1-2H3/t19-/m1/s1
InChIKeyZMKYOJBMHGJESB-LJQANCHMSA-N
XLogP4.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
CID 46231083
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine (CID 92967649) is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine is COc1ccc2cc([C@H](C)CN3CCN(c4ccccc4)CC3)ccc2c1.
What is the InChIKey of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine?
The InChIKey is ZMKYOJBMHGJESB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N2O/c1-19(20-8-9-22-17-24(27-2)11-10-21(22)16-20)18-25-12-14-26(15-13-25)23-6-4-3-5-7-23/h3-11,16-17,19H,12-15,18H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine?
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine has a molecular weight of 360.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine is sourced from PubChem (CID 92967649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).