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

C11H18ClN3 — CID 103015106

IUPAC4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCn1nccc1CCN1CCC(Cl)CC1
InChIInChI=1S/C11H18ClN3/c1-14-11(2-6-13-14)5-9-15-7-3-10(12)4-8-15/h2,6,10H,3-5,7-9H2,1H3
InChIKeyJKIGBVXHQTUVQE-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.67
Rot. Bonds3

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

4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (PubChem CID 103015106) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
PubChem CID103015106
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
SMILESCn1nccc1CCN1CCC(Cl)CC1
InChIInChI=1S/C11H18ClN3/c1-14-11(2-6-13-14)5-9-15-7-3-10(12)4-8-15/h2,6,10H,3-5,7-9H2,1H3
InChIKeyJKIGBVXHQTUVQE-UHFFFAOYSA-N
XLogP1.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.67
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-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015382
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carbothioamide
CID 103002658
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911074
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The IUPAC name of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine (CID 103015106) is 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The canonical SMILES for 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is Cn1nccc1CCN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
The InChIKey is JKIGBVXHQTUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-14-11(2-6-13-14)5-9-15-7-3-10(12)4-8-15/h2,6,10H,3-5,7-9H2,1H3.
What are the key properties of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine?
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine has a molecular weight of 227.74 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 103015106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).