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

C18H34ClN5 — CID 120905321

IUPACN-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C)CCNC1.Cl
InChIInChI=1S/C18H33N5.ClH/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;1H/t15-,17+,18?;/m0./s1
InChIKeyOKRXMPOBBKGIAH-UJJAFLSNSA-N
MW355.96 g/mol
LogP2.16
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;hydrochloride

N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (PubChem CID 120905321) has the molecular formula C18H34ClN5 and a molecular weight of 355.96 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;hydrochloride.

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;hydrochloride
PubChem CID120905321
Molecular FormulaC18H34ClN5
Molecular Weight355.96 g/mol
Exact Mass355.25
IUPAC NameN-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C)CCNC1.Cl
InChIInChI=1S/C18H33N5.ClH/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;1H/t15-,17+,18?;/m0./s1
InChIKeyOKRXMPOBBKGIAH-UJJAFLSNSA-N
XLogP2.16
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120905322
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128966899
2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
CID 120902061
N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]pyridin-4-amine
CID 167963596
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142986
N-methyl-1-(1-methylpiperidin-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120898710
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
N-[3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]propyl]methanesulfonamide
CID 128998327
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128968536

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;hydrochloride?
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;hydrochloride (CID 120905321) is N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.
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;hydrochloride?
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;hydrochloride is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)CC1(C)CCNC1.Cl.
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;hydrochloride?
The InChIKey is OKRXMPOBBKGIAH-UJJAFLSNSA-N. The full InChI is InChI=1S/C18H33N5.ClH/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;1H/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;hydrochloride?
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 355.96 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 120905321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).