N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine

C13H22N4 — CID 116911018

IUPACN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine
SMILESCN1CCNC(C(c2ccccn2)N(C)C)C1
InChIInChI=1S/C13H22N4/c1-16(2)13(11-6-4-5-7-14-11)12-10-17(3)9-8-15-12/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyJPRXNVVVGRAGCB-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.59
Rot. Bonds3

About N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine

N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine (PubChem CID 116911018) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine
PubChem CID116911018
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine
SMILESCN1CCNC(C(c2ccccn2)N(C)C)C1
InChIInChI=1S/C13H22N4/c1-16(2)13(11-6-4-5-7-14-11)12-10-17(3)9-8-15-12/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyJPRXNVVVGRAGCB-UHFFFAOYSA-N
XLogP0.59
TPSA31.40 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 116911032
N-methyl-1-(4-methylpiperazin-2-yl)-1-pyridin-4-ylmethanamine
CID 116956735
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
CID 116920037
2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
CID 112540510
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylbutane-1,2-diamine
CID 63275880
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
CID 116911029
(1-methylpiperidin-4-yl)-pyridin-2-ylmethanamine;hydrochloride
CID 86263103
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine (CID 116911018) is N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine is CN1CCNC(C(c2ccccn2)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine?
The InChIKey is JPRXNVVVGRAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)13(11-6-4-5-7-14-11)12-10-17(3)9-8-15-12/h4-7,12-13,15H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine?
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 116911018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).