2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol

C18H32N6O2 — CID 67367458

IUPAC2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol
SMILESCCCCOc1nc(N)c2c(n1)N(CCC1CCCN(CCO)C1)CN2
InChIInChI=1S/C18H32N6O2/c1-2-3-11-26-18-21-16(19)15-17(22-18)24(13-20-15)8-6-14-5-4-7-23(12-14)9-10-25/h14,20,25H,2-13H2,1H3,(H2,19,21,22)
InChIKeyYFSRVGHMWWWGJJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.52
Rot. Bonds9

About 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol

2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol (PubChem CID 67367458) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol
PubChem CID67367458
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol
SMILESCCCCOc1nc(N)c2c(n1)N(CCC1CCCN(CCO)C1)CN2
InChIInChI=1S/C18H32N6O2/c1-2-3-11-26-18-21-16(19)15-17(22-18)24(13-20-15)8-6-14-5-4-7-23(12-14)9-10-25/h14,20,25H,2-13H2,1H3,(H2,19,21,22)
InChIKeyYFSRVGHMWWWGJJ-UHFFFAOYSA-N
XLogP1.52
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol (CID 67367458) is 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol is CCCCOc1nc(N)c2c(n1)N(CCC1CCCN(CCO)C1)CN2.
What is the InChIKey of 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol?
The InChIKey is YFSRVGHMWWWGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-2-3-11-26-18-21-16(19)15-17(22-18)24(13-20-15)8-6-14-5-4-7-23(12-14)9-10-25/h14,20,25H,2-13H2,1H3,(H2,19,21,22).
What are the key properties of 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol?
2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol has a molecular weight of 364.49 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(6-amino-2-butoxy-7,8-dihydropurin-9-yl)ethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 67367458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).