5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride

C16H29ClN4 — CID 120906404

IUPAC5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC1CN(Cc2ccc(N(C)C(C)C)nc2)C(C)CN1.Cl
InChIInChI=1S/C16H28N4.ClH/c1-12(2)19(5)16-7-6-15(9-18-16)11-20-10-13(3)17-8-14(20)4;/h6-7,9,12-14,17H,8,10-11H2,1-5H3;1H
InChIKeyLFHPAWKJPJNPFG-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.53
Rot. Bonds4

About 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride

5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride (PubChem CID 120906404) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
PubChem CID120906404
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC1CN(Cc2ccc(N(C)C(C)C)nc2)C(C)CN1.Cl
InChIInChI=1S/C16H28N4.ClH/c1-12(2)19(5)16-7-6-15(9-18-16)11-20-10-13(3)17-8-14(20)4;/h6-7,9,12-14,17H,8,10-11H2,1-5H3;1H
InChIKeyLFHPAWKJPJNPFG-UHFFFAOYSA-N
XLogP2.53
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine
CID 120906110
5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120897054
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120839700
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
CID 119048688
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride (CID 120906404) is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride is CC1CN(Cc2ccc(N(C)C(C)C)nc2)C(C)CN1.Cl.
What is the InChIKey of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is LFHPAWKJPJNPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.ClH/c1-12(2)19(5)16-7-6-15(9-18-16)11-20-10-13(3)17-8-14(20)4;/h6-7,9,12-14,17H,8,10-11H2,1-5H3;1H.
What are the key properties of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120906404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).