3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol

C16H27N5O — CID 70729852

IUPAC3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESCCc1cc(N2CCN(CC3(O)CCCNC3)CC2)ncn1
InChIInChI=1S/C16H27N5O/c1-2-14-10-15(19-13-18-14)21-8-6-20(7-9-21)12-16(22)4-3-5-17-11-16/h10,13,17,22H,2-9,11-12H2,1H3
InChIKeyLGRFQQXCFJKPIL-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.28
Rot. Bonds4

About 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol

3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol (PubChem CID 70729852) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol
PubChem CID70729852
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESCCc1cc(N2CCN(CC3(O)CCCNC3)CC2)ncn1
InChIInChI=1S/C16H27N5O/c1-2-14-10-15(19-13-18-14)21-8-6-20(7-9-21)12-16(22)4-3-5-17-11-16/h10,13,17,22H,2-9,11-12H2,1H3
InChIKeyLGRFQQXCFJKPIL-UHFFFAOYSA-N
XLogP0.28
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol (CID 70729852) is 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol is CCc1cc(N2CCN(CC3(O)CCCNC3)CC2)ncn1.
What is the InChIKey of 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The InChIKey is LGRFQQXCFJKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-14-10-15(19-13-18-14)21-8-6-20(7-9-21)12-16(22)4-3-5-17-11-16/h10,13,17,22H,2-9,11-12H2,1H3.
What are the key properties of 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol?
3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol has a molecular weight of 305.43 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70729852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).