1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride

C19H29ClN4 — CID 56817432

IUPAC1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCc1[nH]ncc1CNCc1ccccc1CN1CCCCC1C.Cl
InChIInChI=1S/C19H28N4.ClH/c1-15-7-5-6-10-23(15)14-18-9-4-3-8-17(18)11-20-12-19-13-21-22-16(19)2;/h3-4,8-9,13,15,20H,5-7,10-12,14H2,1-2H3,(H,21,22);1H
InChIKeyYFPRETMONVEFSR-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.80
Rot. Bonds6

About 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride

1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 56817432) has the molecular formula C19H29ClN4 and a molecular weight of 348.92 g/mol. Its IUPAC name is 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID56817432
Molecular FormulaC19H29ClN4
Molecular Weight348.92 g/mol
Exact Mass348.21
IUPAC Name1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCc1[nH]ncc1CNCc1ccccc1CN1CCCCC1C.Cl
InChIInChI=1S/C19H28N4.ClH/c1-15-7-5-6-10-23(15)14-18-9-4-3-8-17(18)11-20-12-19-13-21-22-16(19)2;/h3-4,8-9,13,15,20H,5-7,10-12,14H2,1-2H3,(H,21,22);1H
InChIKeyYFPRETMONVEFSR-UHFFFAOYSA-N
XLogP3.80
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride with MolForge

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Related Compounds

5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one
CID 94424877
1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808486
6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine
CID 60567887
1-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969589
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine
CID 60504397
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
2-methyl-1-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524112
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride (CID 56817432) is 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride is Cc1[nH]ncc1CNCc1ccccc1CN1CCCCC1C.Cl.
What is the InChIKey of 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is YFPRETMONVEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.ClH/c1-15-7-5-6-10-23(15)14-18-9-4-3-8-17(18)11-20-12-19-13-21-22-16(19)2;/h3-4,8-9,13,15,20H,5-7,10-12,14H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 56817432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).