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

C11H18ClN5O — CID 55124384

IUPAC[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCN(C)c1nc(Cl)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17-5-3-8(7-18)4-6-17/h8,18H,3-7H2,1-2H3
InChIKeyJYTSMCXNZSEUHM-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.80
Rot. Bonds3

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

[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 55124384) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID55124384
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCN(C)c1nc(Cl)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17-5-3-8(7-18)4-6-17/h8,18H,3-7H2,1-2H3
InChIKeyJYTSMCXNZSEUHM-UHFFFAOYSA-N
XLogP0.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 55124384) is [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is CN(C)c1nc(Cl)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JYTSMCXNZSEUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)17-5-3-8(7-18)4-6-17/h8,18H,3-7H2,1-2H3.
What are the key properties of [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 271.75 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 55124384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).