2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine

C16H27N3 — CID 64939823

IUPAC2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CC(CC(C)C)NCC2C)cn1
InChIInChI=1S/C16H27N3/c1-12(2)7-16-11-19(14(4)8-18-16)10-15-6-5-13(3)17-9-15/h5-6,9,12,14,16,18H,7-8,10-11H2,1-4H3
InChIKeyDPRMXJIFSPBSCA-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine

2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 64939823) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
PubChem CID64939823
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CC(CC(C)C)NCC2C)cn1
InChIInChI=1S/C16H27N3/c1-12(2)7-16-11-19(14(4)8-18-16)10-15-6-5-13(3)17-9-15/h5-6,9,12,14,16,18H,7-8,10-11H2,1-4H3
InChIKeyDPRMXJIFSPBSCA-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64841869
2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64841669
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64932402
1-[(4-chlorophenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64869987
2-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 64938382
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120906404
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
7-methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64872168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine (CID 64939823) is 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine is Cc1ccc(CN2CC(CC(C)C)NCC2C)cn1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is DPRMXJIFSPBSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)7-16-11-19(14(4)8-18-16)10-15-6-5-13(3)17-9-15/h5-6,9,12,14,16,18H,7-8,10-11H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64939823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).