1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine

C15H25N3 — CID 171305510

IUPAC1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
SMILESCCC(C)[C@@H](c1cccc(C)n1)N1CCNCC1
InChIInChI=1S/C15H25N3/c1-4-12(2)15(18-10-8-16-9-11-18)14-7-5-6-13(3)17-14/h5-7,12,15-16H,4,8-11H2,1-3H3/t12?,15-/m0/s1
InChIKeyGROOIQWRYAOTIK-CVRLYYSRSA-N
MW247.39 g/mol
LogP2.38
Rot. Bonds4

About 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine

1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine (PubChem CID 171305510) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
PubChem CID171305510
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
SMILESCCC(C)[C@@H](c1cccc(C)n1)N1CCNCC1
InChIInChI=1S/C15H25N3/c1-4-12(2)15(18-10-8-16-9-11-18)14-7-5-6-13(3)17-14/h5-7,12,15-16H,4,8-11H2,1-3H3/t12?,15-/m0/s1
InChIKeyGROOIQWRYAOTIK-CVRLYYSRSA-N
XLogP2.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(1S)-1-(2,6-dimethylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305273
1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
CID 131534531
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171305124
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304455
1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
CID 5023904
2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171304356
1-[1-(6-methyl-2-pyridinyl)propan-2-yl]piperazine
CID 83889116
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine (CID 171305510) is 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine is CCC(C)[C@@H](c1cccc(C)n1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine?
The InChIKey is GROOIQWRYAOTIK-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12(2)15(18-10-8-16-9-11-18)14-7-5-6-13(3)17-14/h5-7,12,15-16H,4,8-11H2,1-3H3/t12?,15-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine?
1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine is sourced from PubChem (CID 171305510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).