N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine

C13H22N4 — CID 115230518

IUPACN-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
SMILESCN(CCCN1CCNCC1)c1ccncc1
InChIInChI=1S/C13H22N4/c1-16(13-3-5-14-6-4-13)9-2-10-17-11-7-15-8-12-17/h3-6,15H,2,7-12H2,1H3
InChIKeyDRSQNDDCQBRBFU-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.81
Rot. Bonds5

About N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine

N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine (PubChem CID 115230518) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
PubChem CID115230518
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
SMILESCN(CCCN1CCNCC1)c1ccncc1
InChIInChI=1S/C13H22N4/c1-16(13-3-5-14-6-4-13)9-2-10-17-11-7-15-8-12-17/h3-6,15H,2,7-12H2,1H3
InChIKeyDRSQNDDCQBRBFU-UHFFFAOYSA-N
XLogP0.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)pyridin-4-amine
CID 115255834
N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
1-(5-pyridin-4-ylpentyl)-1,4-diazepane
CID 18958792
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
The IUPAC name of N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine (CID 115230518) is N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
The canonical SMILES for N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine is CN(CCCN1CCNCC1)c1ccncc1.
What is the InChIKey of N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
The InChIKey is DRSQNDDCQBRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(13-3-5-14-6-4-13)9-2-10-17-11-7-15-8-12-17/h3-6,15H,2,7-12H2,1H3.
What are the key properties of N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine is sourced from PubChem (CID 115230518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).