2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride

C10H16ClN3 — CID 169086716

IUPAC2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride
SMILESCC1(c2ncccn2)CCNCC1.Cl
InChIInChI=1S/C10H15N3.ClH/c1-10(3-7-11-8-4-10)9-12-5-2-6-13-9;/h2,5-6,11H,3-4,7-8H2,1H3;1H
InChIKeyOBVAHTZJLYSAIS-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.54
Rot. Bonds1

About 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride

2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride (PubChem CID 169086716) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride
PubChem CID169086716
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride
SMILESCC1(c2ncccn2)CCNCC1.Cl
InChIInChI=1S/C10H15N3.ClH/c1-10(3-7-11-8-4-10)9-12-5-2-6-13-9;/h2,5-6,11H,3-4,7-8H2,1H3;1H
InChIKeyOBVAHTZJLYSAIS-UHFFFAOYSA-N
XLogP1.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride
CID 170905802
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CID 63124239
2-(4-methylpiperidin-4-yl)oxypyridine
CID 117051381
ethane;4-methyl-4-phenylpiperidine
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5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 156745989
4-(furan-2-yl)-4-methylpiperidine
CID 83815867
4-methyl-4-phenylazepane
CID 89410025
2-pyrimidin-2-ylpiperidin-2-ol
CID 91114760
2-[(3-methylpyrrolidin-3-yl)methoxy]pyridine
CID 127006284
4-methyl-4-(3-methylimidazol-4-yl)piperidine
CID 114717460
5-[(1S,2S)-2-methyl-2-phenylcyclopropyl]-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
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2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 63124311

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride?
The IUPAC name of 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride (CID 169086716) is 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride?
The canonical SMILES for 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride is CC1(c2ncccn2)CCNCC1.Cl.
What is the InChIKey of 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride?
The InChIKey is OBVAHTZJLYSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.ClH/c1-10(3-7-11-8-4-10)9-12-5-2-6-13-9;/h2,5-6,11H,3-4,7-8H2,1H3;1H.
What are the key properties of 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride?
2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride is sourced from PubChem (CID 169086716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).