N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride

C18H25ClN4 — CID 120839419

IUPACN-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1ccc(N(C)c2ccccc2)nc1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-15-12-19-10-11-22(15)14-16-8-9-18(20-13-16)21(2)17-6-4-3-5-7-17;/h3-9,13,15,19H,10-12,14H2,1-2H3;1H/t15-;/m1./s1
InChIKeyQOQJYRKXVAPKKU-XFULWGLBSA-N
MW332.88 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride

N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride (PubChem CID 120839419) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
PubChem CID120839419
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC NameN-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1ccc(N(C)c2ccccc2)nc1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-15-12-19-10-11-22(15)14-16-8-9-18(20-13-16)21(2)17-6-4-3-5-7-17;/h3-9,13,15,19H,10-12,14H2,1-2H3;1H/t15-;/m1./s1
InChIKeyQOQJYRKXVAPKKU-XFULWGLBSA-N
XLogP3.07
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine
CID 134406698
(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 168510113
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
CID 130569472
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120843448
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride (CID 120839419) is N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride is C[C@@H]1CNCCN1Cc1ccc(N(C)c2ccccc2)nc1.Cl.
What is the InChIKey of N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride?
The InChIKey is QOQJYRKXVAPKKU-XFULWGLBSA-N. The full InChI is InChI=1S/C18H24N4.ClH/c1-15-12-19-10-11-22(15)14-16-8-9-18(20-13-16)21(2)17-6-4-3-5-7-17;/h3-9,13,15,19H,10-12,14H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride?
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120839419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).