[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol

C17H28N6O — CID 125420591

IUPAC[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol
SMILESCCn1cnc2c(N3CCC(CO)(NCC(C)C)CC3)ncnc21
InChIInChI=1S/C17H28N6O/c1-4-22-12-20-14-15(22)18-11-19-16(14)23-7-5-17(10-24,6-8-23)21-9-13(2)3/h11-13,21,24H,4-10H2,1-3H3
InChIKeySNZKQBGCNAGKKW-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.42
Rot. Bonds6

About [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol

[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol (PubChem CID 125420591) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol
PubChem CID125420591
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol
SMILESCCn1cnc2c(N3CCC(CO)(NCC(C)C)CC3)ncnc21
InChIInChI=1S/C17H28N6O/c1-4-22-12-20-14-15(22)18-11-19-16(14)23-7-5-17(10-24,6-8-23)21-9-13(2)3/h11-13,21,24H,4-10H2,1-3H3
InChIKeySNZKQBGCNAGKKW-UHFFFAOYSA-N
XLogP1.42
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 163345167
2-(9-ethylpurin-6-yl)-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155977098
(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol
CID 167819885
7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163345037
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
[(2S,4S)-1-(9-ethylpurin-6-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979586
6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
CID 126818343
9-ethyl-N-methylpurin-6-amine
CID 23389288
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
CID 163344774
6-bromo-2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1,3-benzothiazole
CID 155981269

Frequently Asked Questions

What is the IUPAC name of [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol (CID 125420591) is [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol is CCn1cnc2c(N3CCC(CO)(NCC(C)C)CC3)ncnc21.
What is the InChIKey of [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol?
The InChIKey is SNZKQBGCNAGKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-22-12-20-14-15(22)18-11-19-16(14)23-7-5-17(10-24,6-8-23)21-9-13(2)3/h11-13,21,24H,4-10H2,1-3H3.
What are the key properties of [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol?
[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 125420591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).