N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C13H24N4 — CID 114421337

IUPACN-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCC1CCNC(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C13H24N4/c1-11-4-5-14-13(6-11)10-16(2)8-12-7-15-17(3)9-12/h7,9,11,13-14H,4-6,8,10H2,1-3H3
InChIKeyBALABORTBRBCGK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 114421337) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID114421337
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCC1CCNC(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C13H24N4/c1-11-4-5-14-13(6-11)10-16(2)8-12-7-15-17(3)9-12/h7,9,11,13-14H,4-6,8,10H2,1-3H3
InChIKeyBALABORTBRBCGK-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61439616
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80522098
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 114421220
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 102627735
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778140
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703993

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 114421337) is N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is CC1CCNC(CN(C)Cc2cnn(C)c2)C1.
What is the InChIKey of N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is BALABORTBRBCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-4-5-14-13(6-11)10-16(2)8-12-7-15-17(3)9-12/h7,9,11,13-14H,4-6,8,10H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 114421337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).