3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine

C11H18ClN3 — CID 102960205

IUPAC3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCC1CCN(Cc2ccn(C)n2)CC1Cl
InChIInChI=1S/C11H18ClN3/c1-9-3-6-15(8-11(9)12)7-10-4-5-14(2)13-10/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyGXRBMUHZFQWFFG-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.87
Rot. Bonds2

About 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine

3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 102960205) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
PubChem CID102960205
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
SMILESCC1CCN(Cc2ccn(C)n2)CC1Cl
InChIInChI=1S/C11H18ClN3/c1-9-3-6-15(8-11(9)12)7-10-4-5-14(2)13-10/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyGXRBMUHZFQWFFG-UHFFFAOYSA-N
XLogP1.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82870499
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
4-(1-bromoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 106838232
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
CID 82870725
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82866010
3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 102960231
3-[[3-(chloromethyl)-2-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130979357
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
CID 82876865
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine (CID 102960205) is 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine is CC1CCN(Cc2ccn(C)n2)CC1Cl.
What is the InChIKey of 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is GXRBMUHZFQWFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9-3-6-15(8-11(9)12)7-10-4-5-14(2)13-10/h4-5,9,11H,3,6-8H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine?
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 227.74 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 102960205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).