1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol

C12H22N6O — CID 47129740

IUPAC1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCCC(O)C1
InChIInChI=1S/C12H22N6O/c1-8(18-6-4-5-9(19)7-18)10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyVJZUTHROZRITBA-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.04
Rot. Bonds3

About 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol

1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol (PubChem CID 47129740) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
PubChem CID47129740
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCCC(O)C1
InChIInChI=1S/C12H22N6O/c1-8(18-6-4-5-9(19)7-18)10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyVJZUTHROZRITBA-UHFFFAOYSA-N
XLogP0.04
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-Piperidinol, 1-(4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)-
CID 3073367
1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787472
2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
1-[4-Chloro-6-(3,5-dimethyl-piperazin-1-yl)-[1,3,5]triazin-2-yl]-ethanol
CID 22481942
4-(Piperidin-4-ylamino)-1-(1,3,5-triazin-2-yl)butan-1-ol
CID 68381553
4-Piperazin-1-yl-1-(1,3,5-triazin-2-yl)butan-1-ol
CID 68381564
6-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17453398
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
6-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25960064
6-[(1S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25960066
6-[(1R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25960068
6-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25960070

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol?
The IUPAC name of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol (CID 47129740) is 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol?
The canonical SMILES for 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol is CC(c1nc(N)nc(N(C)C)n1)N1CCCC(O)C1.
What is the InChIKey of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol?
The InChIKey is VJZUTHROZRITBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8(18-6-4-5-9(19)7-18)10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol?
1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol has a molecular weight of 266.35 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol is sourced from PubChem (CID 47129740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).