2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine

C10H14ClN3 — CID 102960793

IUPAC2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncccn2)CC1Cl
InChIInChI=1S/C10H14ClN3/c1-8-3-6-14(7-9(8)11)10-12-4-2-5-13-10/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyNWRKRMVCWASUQU-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.93
Rot. Bonds1

About 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine

2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine (PubChem CID 102960793) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
PubChem CID102960793
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncccn2)CC1Cl
InChIInChI=1S/C10H14ClN3/c1-8-3-6-14(7-9(8)11)10-12-4-2-5-13-10/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyNWRKRMVCWASUQU-UHFFFAOYSA-N
XLogP1.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.93
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

2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
CID 102961086
3-bromo-2-(3-chloro-4-methylpiperidin-1-yl)pyridine
CID 102960861
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine
CID 102960958
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
6-(3-chloro-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazine
CID 102960882
4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
CID 102960739
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine (CID 102960793) is 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine is CC1CCN(c2ncccn2)CC1Cl.
What is the InChIKey of 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is NWRKRMVCWASUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-3-6-14(7-9(8)11)10-12-4-2-5-13-10/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine?
2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 211.70 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 102960793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).