1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine

C13H24N4 — CID 83088539

IUPAC1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2cn(C)nc2C)C1
InChIInChI=1S/C13H24N4/c1-11-13(9-16(3)15-11)10-17-6-4-5-12(8-17)7-14-2/h9,12,14H,4-8,10H2,1-3H3
InChIKeyNXYDSEZTVIFILN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.16
Rot. Bonds4

About 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 83088539) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID83088539
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2cn(C)nc2C)C1
InChIInChI=1S/C13H24N4/c1-11-13(9-16(3)15-11)10-17-6-4-5-12(8-17)7-14-2/h9,12,14H,4-8,10H2,1-3H3
InChIKeyNXYDSEZTVIFILN-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
N-methyl-1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120838430
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857205
[(3S)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857204
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine (CID 83088539) is 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(Cc2cn(C)nc2C)C1.
What is the InChIKey of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is NXYDSEZTVIFILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-13(9-16(3)15-11)10-17-6-4-5-12(8-17)7-14-2/h9,12,14H,4-8,10H2,1-3H3.
What are the key properties of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83088539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).