4-(4-chloropiperidin-1-yl)-6-methylpyrimidine

C10H14ClN3 — CID 63388301

IUPAC4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
SMILESCc1cc(N2CCC(Cl)CC2)ncn1
InChIInChI=1S/C10H14ClN3/c1-8-6-10(13-7-12-8)14-4-2-9(11)3-5-14/h6-7,9H,2-5H2,1H3
InChIKeyFDWFOZZHEZQVFC-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.99
Rot. Bonds1

About 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine

4-(4-chloropiperidin-1-yl)-6-methylpyrimidine (PubChem CID 63388301) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
PubChem CID63388301
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
SMILESCc1cc(N2CCC(Cl)CC2)ncn1
InChIInChI=1S/C10H14ClN3/c1-8-6-10(13-7-12-8)14-4-2-9(11)3-5-14/h6-7,9H,2-5H2,1H3
InChIKeyFDWFOZZHEZQVFC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
(3S)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839551
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839552
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129490037
2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371902
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-cyclobutyl-N-[(4S)-1-(6-methylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 129342697
8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
CID 163929188

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine?
The IUPAC name of 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine (CID 63388301) is 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine?
The canonical SMILES for 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine is Cc1cc(N2CCC(Cl)CC2)ncn1.
What is the InChIKey of 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine?
The InChIKey is FDWFOZZHEZQVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-6-10(13-7-12-8)14-4-2-9(11)3-5-14/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine?
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine has a molecular weight of 211.70 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropiperidin-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 63388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).