1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine

C11H19N3 — CID 131703772

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCc1nn(C)cc1CN1CCCCC1
InChIInChI=1S/C11H19N3/c1-10-11(8-13(2)12-10)9-14-6-4-3-5-7-14/h8H,3-7,9H2,1-2H3
InChIKeyRYPFIRPTXPZNCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.71
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine

1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine (PubChem CID 131703772) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
PubChem CID131703772
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCc1nn(C)cc1CN1CCCCC1
InChIInChI=1S/C11H19N3/c1-10-11(8-13(2)12-10)9-14-6-4-3-5-7-14/h8H,3-7,9H2,1-2H3
InChIKeyRYPFIRPTXPZNCH-UHFFFAOYSA-N
XLogP1.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70729768
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627282
(3S)-3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-azabicyclo[2.2.2]octane
CID 99927899
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine (CID 131703772) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine is Cc1nn(C)cc1CN1CCCCC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The InChIKey is RYPFIRPTXPZNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-11(8-13(2)12-10)9-14-6-4-3-5-7-14/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 131703772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).