(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine

C13H22N4 — CID 124501480

IUPAC(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cnc(N2CCNCC2)c(C)c1
InChIInChI=1S/C13H22N4/c1-3-12(14)11-8-10(2)13(16-9-11)17-6-4-15-5-7-17/h8-9,12,15H,3-7,14H2,1-2H3/t12-/m0/s1
InChIKeyGSNDNEGNUUQFKB-LBPRGKRZSA-N
MW234.35 g/mol
LogP1.21
Rot. Bonds3

About (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine

(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine (PubChem CID 124501480) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
PubChem CID124501480
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1cnc(N2CCNCC2)c(C)c1
InChIInChI=1S/C13H22N4/c1-3-12(14)11-8-10(2)13(16-9-11)17-6-4-15-5-7-17/h8-9,12,15H,3-7,14H2,1-2H3/t12-/m0/s1
InChIKeyGSNDNEGNUUQFKB-LBPRGKRZSA-N
XLogP1.21
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
CID 124501455
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
CID 67380857
4-[5-[(S)-amino(phenyl)methyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501535
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545058
4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501524
5-methyl-6-(4-piperazin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 90166098
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634124
4-methyl-6-piperazin-1-ylpyrimidin-5-amine
CID 163648799

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine (CID 124501480) is (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine is CC[C@H](N)c1cnc(N2CCNCC2)c(C)c1.
What is the InChIKey of (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine?
The InChIKey is GSNDNEGNUUQFKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-12(14)11-8-10(2)13(16-9-11)17-6-4-15-5-7-17/h8-9,12,15H,3-7,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine?
(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 124501480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).