2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine

C14H22N4 — CID 133396303

IUPAC2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
SMILESCC1CCCN1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4/c1-12-4-2-9-18(12)13-5-10-17(11-6-13)14-15-7-3-8-16-14/h3,7-8,12-13H,2,4-6,9-11H2,1H3
InChIKeyYSUZXZSKUBLPFJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.93
Rot. Bonds2

About 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine

2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine (PubChem CID 133396303) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
PubChem CID133396303
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
SMILESCC1CCCN1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4/c1-12-4-2-9-18(12)13-5-10-17(11-6-13)14-15-7-3-8-16-14/h3,7-8,12-13H,2,4-6,9-11H2,1H3
InChIKeyYSUZXZSKUBLPFJ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]quinoline
CID 133396296
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133396172
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
CID 102960793
3-bromo-2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-5-nitropyridine
CID 133395997
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133396170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine (CID 133396303) is 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine is CC1CCCN1C1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine?
The InChIKey is YSUZXZSKUBLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-4-2-9-18(12)13-5-10-17(11-6-13)14-15-7-3-8-16-14/h3,7-8,12-13H,2,4-6,9-11H2,1H3.
What are the key properties of 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine?
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133396303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).