4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine

C12H20ClN3 — CID 103015382

IUPAC4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCC1CN(CCc2ccnn2C)CCC1Cl
InChIInChI=1S/C12H20ClN3/c1-10-9-16(8-5-12(10)13)7-4-11-3-6-14-15(11)2/h3,6,10,12H,4-5,7-9H2,1-2H3
InChIKeyLPWXQNRLSWUMNO-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.91
Rot. Bonds3

About 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine

4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (PubChem CID 103015382) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
PubChem CID103015382
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCC1CN(CCc2ccnn2C)CCC1Cl
InChIInChI=1S/C12H20ClN3/c1-10-9-16(8-5-12(10)13)7-4-11-3-6-14-15(11)2/h3,6,10,12H,4-5,7-9H2,1-2H3
InChIKeyLPWXQNRLSWUMNO-UHFFFAOYSA-N
XLogP1.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.91
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

4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carbothioamide
CID 103002658
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 103003270
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The IUPAC name of 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (CID 103015382) is 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The canonical SMILES for 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is CC1CN(CCc2ccnn2C)CCC1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The InChIKey is LPWXQNRLSWUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-10-9-16(8-5-12(10)13)7-4-11-3-6-14-15(11)2/h3,6,10,12H,4-5,7-9H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine has a molecular weight of 241.77 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 103015382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).