N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine

C16H30N4 — CID 99956059

IUPACN-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CN(C)C[C@@H]2CCCCN2C)c(C)n1
InChIInChI=1S/C16H30N4/c1-5-9-20-12-15(14(2)17-20)11-18(3)13-16-8-6-7-10-19(16)4/h12,16H,5-11,13H2,1-4H3/t16-/m0/s1
InChIKeyIWZARZZHMDJRIH-INIZCTEOSA-N
MW278.44 g/mol
LogP2.52
Rot. Bonds6

About N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine

N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine (PubChem CID 99956059) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
PubChem CID99956059
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CN(C)C[C@@H]2CCCCN2C)c(C)n1
InChIInChI=1S/C16H30N4/c1-5-9-20-12-15(14(2)17-20)11-18(3)13-16-8-6-7-10-19(16)4/h12,16H,5-11,13H2,1-4H3/t16-/m0/s1
InChIKeyIWZARZZHMDJRIH-INIZCTEOSA-N
XLogP2.52
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
CID 99931195
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2R)-1-methylpiperidin-2-yl]methanamine
CID 99931196
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 79304613
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
4-(chloromethyl)-3-methyl-1-propylpyrazole
CID 17272171
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 80656005
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine (CID 99956059) is N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine is CCCn1cc(CN(C)C[C@@H]2CCCCN2C)c(C)n1.
What is the InChIKey of N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IWZARZZHMDJRIH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-9-20-12-15(14(2)17-20)11-18(3)13-16-8-6-7-10-19(16)4/h12,16H,5-11,13H2,1-4H3/t16-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine has a molecular weight of 278.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 99956059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).