4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine

C14H23N5 — CID 45496281

IUPAC4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine
SMILESCC1CCN(c2cc(N3CCNCC3)ncn2)CC1
InChIInChI=1S/C14H23N5/c1-12-2-6-18(7-3-12)13-10-14(17-11-16-13)19-8-4-15-5-9-19/h10-12,15H,2-9H2,1H3
InChIKeyXHWUYFZOALIEHI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.12
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine

4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine (PubChem CID 45496281) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine
PubChem CID45496281
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine
SMILESCC1CCN(c2cc(N3CCNCC3)ncn2)CC1
InChIInChI=1S/C14H23N5/c1-12-2-6-18(7-3-12)13-10-14(17-11-16-13)19-8-4-15-5-9-19/h10-12,15H,2-9H2,1H3
InChIKeyXHWUYFZOALIEHI-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine (CID 45496281) is 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine is CC1CCN(c2cc(N3CCNCC3)ncn2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine?
The InChIKey is XHWUYFZOALIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-12-2-6-18(7-3-12)13-10-14(17-11-16-13)19-8-4-15-5-9-19/h10-12,15H,2-9H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine?
4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine has a molecular weight of 261.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 45496281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).