N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C16H27ClN4 — CID 114926447

IUPACN-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2cc(CNC(C)(C)C)c(Cl)cn2)CCN1C
InChIInChI=1S/C16H27ClN4/c1-12-11-21(7-6-20(12)5)15-8-13(14(17)10-18-15)9-19-16(2,3)4/h8,10,12,19H,6-7,9,11H2,1-5H3
InChIKeyJAMKOSKFYYVCRN-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.76
Rot. Bonds3

About N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114926447) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114926447
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2cc(CNC(C)(C)C)c(Cl)cn2)CCN1C
InChIInChI=1S/C16H27ClN4/c1-12-11-21(7-6-20(12)5)15-8-13(14(17)10-18-15)9-19-16(2,3)4/h8,10,12,19H,6-7,9,11H2,1-5H3
InChIKeyJAMKOSKFYYVCRN-UHFFFAOYSA-N
XLogP2.76
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-chloro-2-(4-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926471
N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114851241
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844
N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66449130
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926559
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81247301
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80638985
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114926447) is N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC1CN(c2cc(CNC(C)(C)C)c(Cl)cn2)CCN1C.
What is the InChIKey of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is JAMKOSKFYYVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-12-11-21(7-6-20(12)5)15-8-13(14(17)10-18-15)9-19-16(2,3)4/h8,10,12,19H,6-7,9,11H2,1-5H3.
What are the key properties of N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114926447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).