4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine

C14H23N5 — CID 116900754

IUPAC4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
SMILESCN1CCCC(c2ccnc(N3CCNCC3)n2)C1
InChIInChI=1S/C14H23N5/c1-18-8-2-3-12(11-18)13-4-5-16-14(17-13)19-9-6-15-7-10-19/h4-5,12,15H,2-3,6-11H2,1H3
InChIKeyFCIOKSVNDVSYFK-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.70
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine

4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine (PubChem CID 116900754) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
PubChem CID116900754
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
SMILESCN1CCCC(c2ccnc(N3CCNCC3)n2)C1
InChIInChI=1S/C14H23N5/c1-18-8-2-3-12(11-18)13-4-5-16-14(17-13)19-9-6-15-7-10-19/h4-5,12,15H,2-3,6-11H2,1H3
InChIKeyFCIOKSVNDVSYFK-UHFFFAOYSA-N
XLogP0.70
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
2-[(3S)-1-methylpiperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124641610
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
4-(2-methylpyrazol-3-yl)-2-piperazin-1-ylpyrimidine
CID 106758887
4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 70733172
[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride
CID 154901230

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine (CID 116900754) is 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine is CN1CCCC(c2ccnc(N3CCNCC3)n2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine?
The InChIKey is FCIOKSVNDVSYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-8-2-3-12(11-18)13-4-5-16-14(17-13)19-9-6-15-7-10-19/h4-5,12,15H,2-3,6-11H2,1H3.
What are the key properties of 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine?
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine has a molecular weight of 261.37 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 116900754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).