1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine

C15H26N4 — CID 105073744

IUPAC1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCC(C)N1CCN(c2cnccc2CNC)CC1
InChIInChI=1S/C15H26N4/c1-4-13(2)18-7-9-19(10-8-18)15-12-17-6-5-14(15)11-16-3/h5-6,12-13,16H,4,7-11H2,1-3H3
InChIKeyXEORXPWKIFAQSI-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.72
Rot. Bonds5

About 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105073744) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105073744
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCC(C)N1CCN(c2cnccc2CNC)CC1
InChIInChI=1S/C15H26N4/c1-4-13(2)18-7-9-19(10-8-18)15-12-17-6-5-14(15)11-16-3/h5-6,12-13,16H,4,7-11H2,1-3H3
InChIKeyXEORXPWKIFAQSI-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 130877424
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
N-methyl-1-[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methanamine
CID 105072686
4-(4-butan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81244666
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105072808
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
1-[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105073708
N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 105073744) is 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine is CCC(C)N1CCN(c2cnccc2CNC)CC1.
What is the InChIKey of 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is XEORXPWKIFAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-13(2)18-7-9-19(10-8-18)15-12-17-6-5-14(15)11-16-3/h5-6,12-13,16H,4,7-11H2,1-3H3.
What are the key properties of 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-butan-2-ylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105073744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).