N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine

C13H22N4 — CID 116960994

IUPACN-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
SMILESCNC(c1ccncc1)C(C)N1CCNCC1
InChIInChI=1S/C13H22N4/c1-11(17-9-7-16-8-10-17)13(14-2)12-3-5-15-6-4-12/h3-6,11,13-14,16H,7-10H2,1-2H3
InChIKeyCRIGTUMQPQPECL-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine

N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine (PubChem CID 116960994) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
PubChem CID116960994
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
SMILESCNC(c1ccncc1)C(C)N1CCNCC1
InChIInChI=1S/C13H22N4/c1-11(17-9-7-16-8-10-17)13(14-2)12-3-5-15-6-4-12/h3-6,11,13-14,16H,7-10H2,1-2H3
InChIKeyCRIGTUMQPQPECL-UHFFFAOYSA-N
XLogP0.64
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960972
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976
N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116960987
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116960982
N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-(methylamino)-1-pyridin-4-ylpropan-2-ol
CID 116859507
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine (CID 116960994) is N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine is CNC(c1ccncc1)C(C)N1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is CRIGTUMQPQPECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(17-9-7-16-8-10-17)13(14-2)12-3-5-15-6-4-12/h3-6,11,13-14,16H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 116960994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).