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

C21H35N5O3 — CID 102133618

IUPAC[1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCCC3)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C21H35N5O3/c27-14-16-6-10-25(11-7-16)19-22-20(26-12-8-17(15-28)9-13-26)24-21(23-19)29-18-4-2-1-3-5-18/h16-18,27-28H,1-15H2
InChIKeyRCQWFURRUUJCBA-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.00
Rot. Bonds6

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

[1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 102133618) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID102133618
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name[1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCCC3)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C21H35N5O3/c27-14-16-6-10-25(11-7-16)19-22-20(26-12-8-17(15-28)9-13-26)24-21(23-19)29-18-4-2-1-3-5-18/h16-18,27-28H,1-15H2
InChIKeyRCQWFURRUUJCBA-UHFFFAOYSA-N
XLogP2.00
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 102133618) is [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(OC3CCCCC3)nc(N3CCC(CO)CC3)n2)CC1.
What is the InChIKey of [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is RCQWFURRUUJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c27-14-16-6-10-25(11-7-16)19-22-20(26-12-8-17(15-28)9-13-26)24-21(23-19)29-18-4-2-1-3-5-18/h16-18,27-28H,1-15H2.
What are the key properties of [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 405.54 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 102133618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).