N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride

C19H29ClN4 — CID 120835768

IUPACN-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(Cc2ccc(C)cc2-c2ccnn2C)C1.Cl
InChIInChI=1S/C19H28N4.ClH/c1-15-6-7-17(18(11-15)19-8-9-21-22(19)3)14-23-10-4-5-16(13-23)12-20-2;/h6-9,11,16,20H,4-5,10,12-14H2,1-3H3;1H
InChIKeyOTJFIFIBKDYLTD-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 120835768) has the molecular formula C19H29ClN4 and a molecular weight of 348.92 g/mol. Its IUPAC name is N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID120835768
Molecular FormulaC19H29ClN4
Molecular Weight348.92 g/mol
Exact Mass348.21
IUPAC NameN-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(Cc2ccc(C)cc2-c2ccnn2C)C1.Cl
InChIInChI=1S/C19H28N4.ClH/c1-15-6-7-17(18(11-15)19-8-9-21-22(19)3)14-23-10-4-5-16(13-23)12-20-2;/h6-9,11,16,20H,4-5,10,12-14H2,1-3H3;1H
InChIKeyOTJFIFIBKDYLTD-UHFFFAOYSA-N
XLogP3.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride (CID 120835768) is N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride is CNCC1CCCN(Cc2ccc(C)cc2-c2ccnn2C)C1.Cl.
What is the InChIKey of N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is OTJFIFIBKDYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.ClH/c1-15-6-7-17(18(11-15)19-8-9-21-22(19)3)14-23-10-4-5-16(13-23)12-20-2;/h6-9,11,16,20H,4-5,10,12-14H2,1-3H3;1H.
What are the key properties of N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120835768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).