1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine

C13H22N4 — CID 102546786

IUPAC1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C13H22N4/c1-3-12(14)11-4-5-13(15-10-11)17-8-6-16(2)7-9-17/h4-5,10,12H,3,6-9,14H2,1-2H3
InChIKeySYRMARPUZCDJDY-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.24
Rot. Bonds3

About 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine

1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine (PubChem CID 102546786) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
PubChem CID102546786
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C13H22N4/c1-3-12(14)11-4-5-13(15-10-11)17-8-6-16(2)7-9-17/h4-5,10,12H,3,6-9,14H2,1-2H3
InChIKeySYRMARPUZCDJDY-UHFFFAOYSA-N
XLogP1.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 124502902
(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine?
The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine (CID 102546786) is 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine?
The InChIKey is SYRMARPUZCDJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-12(14)11-4-5-13(15-10-11)17-8-6-16(2)7-9-17/h4-5,10,12H,3,6-9,14H2,1-2H3.
What are the key properties of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine?
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 102546786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).