N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

C18H33N5 — CID 120905322

IUPACN-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C)CCNC1
InChIInChI=1S/C18H33N5/c1-18(7-8-19-13-18)14-21(2)11-15-6-5-9-22(3)17(15)16-10-20-23(4)12-16/h10,12,15,17,19H,5-9,11,13-14H2,1-4H3/t15-,17+,18?/m0/s1
InChIKeyGKXDZFPODKIAOM-CTDRKSARSA-N
MW319.50 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 120905322) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID120905322
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC NameN-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C)CCNC1
InChIInChI=1S/C18H33N5/c1-18(7-8-19-13-18)14-21(2)11-15-6-5-9-22(3)17(15)16-10-20-23(4)12-16/h10,12,15,17,19H,5-9,11,13-14H2,1-4H3/t15-,17+,18?/m0/s1
InChIKeyGKXDZFPODKIAOM-CTDRKSARSA-N
XLogP1.73
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898
4-(1-methyl-1H-pyrazol-4-yl)piperidine hydrochloride
CID 91647506
4-(4,4-dimethylpyrrolidin-3-yl)-1-methyl-1H-pyrazole dihydrochloride
CID 119057048
(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 164639357
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
4-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 50988986
3-Fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 70847466

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (CID 120905322) is N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C)CCNC1.
What is the InChIKey of N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is GKXDZFPODKIAOM-CTDRKSARSA-N. The full InChI is InChI=1S/C18H33N5/c1-18(7-8-19-13-18)14-21(2)11-15-6-5-9-22(3)17(15)16-10-20-23(4)12-16/h10,12,15,17,19H,5-9,11,13-14H2,1-4H3/t15-,17+,18?/m0/s1.
What are the key properties of N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 319.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 120905322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).