2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol

C19H24N6O2 — CID 67147383

IUPAC2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CCC(Nc3ncnc4nc[nH]c34)CC2)ccc1O
InChIInChI=1S/C19H24N6O2/c1-2-27-16-9-13(3-4-15(16)26)10-25-7-5-14(6-8-25)24-19-17-18(21-11-20-17)22-12-23-19/h3-4,9,11-12,14,26H,2,5-8,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyIZOHMTGETROMDR-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.53
Rot. Bonds6

About 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol

2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol (PubChem CID 67147383) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol
PubChem CID67147383
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CCC(Nc3ncnc4nc[nH]c34)CC2)ccc1O
InChIInChI=1S/C19H24N6O2/c1-2-27-16-9-13(3-4-15(16)26)10-25-7-5-14(6-8-25)24-19-17-18(21-11-20-17)22-12-23-19/h3-4,9,11-12,14,26H,2,5-8,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyIZOHMTGETROMDR-UHFFFAOYSA-N
XLogP2.53
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7H-purin-6-amine
CID 67147353
N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
CID 133320076
2-ethoxy-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]phenol
CID 135579920
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 3645638
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
2-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]amino]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 68703011
3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141215819
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401908

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol (CID 67147383) is 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol is CCOc1cc(CN2CCC(Nc3ncnc4nc[nH]c34)CC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is IZOHMTGETROMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-27-16-9-13(3-4-15(16)26)10-25-7-5-14(6-8-25)24-19-17-18(21-11-20-17)22-12-23-19/h3-4,9,11-12,14,26H,2,5-8,10H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol?
2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 368.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[4-(7H-purin-6-ylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 67147383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).