[1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

C19H30N4O3 — CID 102133616

IUPAC[1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCC3)nc(OC3CCCC3)n2)CC1
InChIInChI=1S/C19H30N4O3/c24-13-14-9-11-23(12-10-14)17-20-18(25-15-5-1-2-6-15)22-19(21-17)26-16-7-3-4-8-16/h14-16,24H,1-13H2
InChIKeyBTQXBWPZTJILFQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.72
Rot. Bonds6

About [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol

[1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (PubChem CID 102133616) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
PubChem CID102133616
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCC3)nc(OC3CCCC3)n2)CC1
InChIInChI=1S/C19H30N4O3/c24-13-14-9-11-23(12-10-14)17-20-18(25-15-5-1-2-6-15)22-19(21-17)26-16-7-3-4-8-16/h14-16,24H,1-13H2
InChIKeyBTQXBWPZTJILFQ-UHFFFAOYSA-N
XLogP2.72
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (CID 102133616) is [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is OCC1CCN(c2nc(OC3CCCC3)nc(OC3CCCC3)n2)CC1.
What is the InChIKey of [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The InChIKey is BTQXBWPZTJILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-13-14-9-11-23(12-10-14)17-20-18(25-15-5-1-2-6-15)22-19(21-17)26-16-7-3-4-8-16/h14-16,24H,1-13H2.
What are the key properties of [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
[1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol has a molecular weight of 362.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 102133616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).