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

C9H14ClN5O — CID 80757183

IUPAC[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESNc1nc(Cl)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C9H14ClN5O/c10-7-12-8(11)14-9(13-7)15-3-1-6(5-16)2-4-15/h6,16H,1-5H2,(H2,11,12,13,14)
InChIKeyDYBVHXIASMEOJF-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.32
Rot. Bonds2

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

[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (PubChem CID 80757183) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
PubChem CID80757183
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
SMILESNc1nc(Cl)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C9H14ClN5O/c10-7-12-8(11)14-9(13-7)15-3-1-6(5-16)2-4-15/h6,16H,1-5H2,(H2,11,12,13,14)
InChIKeyDYBVHXIASMEOJF-UHFFFAOYSA-N
XLogP0.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethanol, 2-[6-chloro-4-(4-methyl-1-piperidyl)-1,3,5-triazin-2-ylamino]-
CID 544488
2-{[4-Chloro-6-(4-methyl-1-piperidinyl)-1,3,5-triazin-2-yl]amino}-2-methyl-1-propanol
CID 23798730
[1-(4,6-Dichloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 62857423
[1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 62860000
[1-[4-Chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 71763662
[1-(4,6-Diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 71764079
[1-[4,6-Di(propan-2-yloxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 102133614
1-(4-Amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-ol
CID 53407989
[1-[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 55124384
[1-(4,6-Dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
CID 60726769
[1-(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 62857029
[1-(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 62857982

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol (CID 80757183) is [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is Nc1nc(Cl)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
The InChIKey is DYBVHXIASMEOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c10-7-12-8(11)14-9(13-7)15-3-1-6(5-16)2-4-15/h6,16H,1-5H2,(H2,11,12,13,14).
What are the key properties of [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol?
[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol has a molecular weight of 243.70 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 80757183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).