4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine

C15H26N4 — CID 79267762

IUPAC4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
SMILESCc1cccc(CN2CCN(CCCCN)CC2)n1
InChIInChI=1S/C15H26N4/c1-14-5-4-6-15(17-14)13-19-11-9-18(10-12-19)8-3-2-7-16/h4-6H,2-3,7-13,16H2,1H3
InChIKeyYOOSFTHHTVWSEV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.25
Rot. Bonds6

About 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine

4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine (PubChem CID 79267762) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
PubChem CID79267762
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
SMILESCc1cccc(CN2CCN(CCCCN)CC2)n1
InChIInChI=1S/C15H26N4/c1-14-5-4-6-15(17-14)13-19-11-9-18(10-12-19)8-3-2-7-16/h4-6H,2-3,7-13,16H2,1H3
InChIKeyYOOSFTHHTVWSEV-UHFFFAOYSA-N
XLogP1.25
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
CID 82866697
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 171912522
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 46982833
[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905629
1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 95811450
1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepane
CID 3867256
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine (CID 79267762) is 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine is Cc1cccc(CN2CCN(CCCCN)CC2)n1.
What is the InChIKey of 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine?
The InChIKey is YOOSFTHHTVWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-14-5-4-6-15(17-14)13-19-11-9-18(10-12-19)8-3-2-7-16/h4-6H,2-3,7-13,16H2,1H3.
What are the key properties of 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine?
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 79267762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).