1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine

C20H28N2 — CID 171305440

IUPAC1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
SMILESCCC(C)[C@@H](c1ccc(C)c2ccccc12)N1CCNCC1
InChIInChI=1S/C20H28N2/c1-4-15(2)20(22-13-11-21-12-14-22)19-10-9-16(3)17-7-5-6-8-18(17)19/h5-10,15,20-21H,4,11-14H2,1-3H3/t15?,20-/m0/s1
InChIKeyBWUMAUKVONQGBZ-MBABXSBOSA-N
MW296.46 g/mol
LogP4.14
Rot. Bonds4

About 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine

1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine (PubChem CID 171305440) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
PubChem CID171305440
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
SMILESCCC(C)[C@@H](c1ccc(C)c2ccccc12)N1CCNCC1
InChIInChI=1S/C20H28N2/c1-4-15(2)20(22-13-11-21-12-14-22)19-10-9-16(3)17-7-5-6-8-18(17)19/h5-10,15,20-21H,4,11-14H2,1-3H3/t15?,20-/m0/s1
InChIKeyBWUMAUKVONQGBZ-MBABXSBOSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
CID 171304964
2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171304356
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736
1-methyl-3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]indole;dihydrochloride
CID 171305371
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
CID 171304510
1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171304304
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305273
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine?
The IUPAC name of 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine (CID 171305440) is 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine is CCC(C)[C@@H](c1ccc(C)c2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine?
The InChIKey is BWUMAUKVONQGBZ-MBABXSBOSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-15(2)20(22-13-11-21-12-14-22)19-10-9-16(3)17-7-5-6-8-18(17)19/h5-10,15,20-21H,4,11-14H2,1-3H3/t15?,20-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine?
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine has a molecular weight of 296.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine is sourced from PubChem (CID 171305440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).