2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine

C15H25N5 — CID 106740839

IUPAC2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCC1CC(CN2CCN(c3ncccn3)CC2)CCN1
InChIInChI=1S/C15H25N5/c1-13-11-14(3-6-16-13)12-19-7-9-20(10-8-19)15-17-4-2-5-18-15/h2,4-5,13-14,16H,3,6-12H2,1H3
InChIKeyKLKAWEQHZWLNJG-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.99
Rot. Bonds3

About 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 106740839) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID106740839
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCC1CC(CN2CCN(c3ncccn3)CC2)CCN1
InChIInChI=1S/C15H25N5/c1-13-11-14(3-6-16-13)12-19-7-9-20(10-8-19)15-17-4-2-5-18-15/h2,4-5,13-14,16H,3,6-12H2,1H3
InChIKeyKLKAWEQHZWLNJG-UHFFFAOYSA-N
XLogP0.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
(2S,4S)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide;hydrochloride
CID 120632247
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106740844
3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine
CID 82916473
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]pyrimidine
CID 11587119
1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 138381321
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 106740839) is 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine is CC1CC(CN2CCN(c3ncccn3)CC2)CCN1.
What is the InChIKey of 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is KLKAWEQHZWLNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-13-11-14(3-6-16-13)12-19-7-9-20(10-8-19)15-17-4-2-5-18-15/h2,4-5,13-14,16H,3,6-12H2,1H3.
What are the key properties of 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 106740839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).