2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol

C19H26N2O — CID 82263132

IUPAC2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCc1ccc(C(O)C(C)CN2CCNCC2)c2ccccc12
InChIInChI=1S/C19H26N2O/c1-14-7-8-18(17-6-4-3-5-16(14)17)19(22)15(2)13-21-11-9-20-10-12-21/h3-8,15,19-20,22H,9-13H2,1-2H3
InChIKeyOMLIDYZSRABKMG-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol

2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82263132) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82263132
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCc1ccc(C(O)C(C)CN2CCNCC2)c2ccccc12
InChIInChI=1S/C19H26N2O/c1-14-7-8-18(17-6-4-3-5-16(14)17)19(22)15(2)13-21-11-9-20-10-12-21/h3-8,15,19-20,22H,9-13H2,1-2H3
InChIKeyOMLIDYZSRABKMG-UHFFFAOYSA-N
XLogP2.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116946622
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263447
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82264910
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82264442
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol (CID 82263132) is 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol is Cc1ccc(C(O)C(C)CN2CCNCC2)c2ccccc12.
What is the InChIKey of 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is OMLIDYZSRABKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14-7-8-18(17-6-4-3-5-16(14)17)19(22)15(2)13-21-11-9-20-10-12-21/h3-8,15,19-20,22H,9-13H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol?
2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82263132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).