2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol

C14H22N2O3 — CID 54906415

IUPAC2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
SMILESCOc1ccc(NC2CCNCC2)cc1OCCO
InChIInChI=1S/C14H22N2O3/c1-18-13-3-2-12(10-14(13)19-9-8-17)16-11-4-6-15-7-5-11/h2-3,10-11,15-17H,4-9H2,1H3
InChIKeyHUMUSSQJVMCHNR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol

2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol (PubChem CID 54906415) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
PubChem CID54906415
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
SMILESCOc1ccc(NC2CCNCC2)cc1OCCO
InChIInChI=1S/C14H22N2O3/c1-18-13-3-2-12(10-14(13)19-9-8-17)16-11-4-6-15-7-5-11/h2-3,10-11,15-17H,4-9H2,1H3
InChIKeyHUMUSSQJVMCHNR-UHFFFAOYSA-N
XLogP1.23
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxy-5-(oxepan-4-ylamino)phenoxy]ethanol
CID 65081754
2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol
CID 82727171
4-(azepan-4-ylamino)-2-methoxybenzamide
CID 23068034
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
N-(3,4,5-trimethoxyphenyl)azepan-4-amine
CID 103980388
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol (CID 54906415) is 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol is COc1ccc(NC2CCNCC2)cc1OCCO.
What is the InChIKey of 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol?
The InChIKey is HUMUSSQJVMCHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-13-3-2-12(10-14(13)19-9-8-17)16-11-4-6-15-7-5-11/h2-3,10-11,15-17H,4-9H2,1H3.
What are the key properties of 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol?
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol is sourced from PubChem (CID 54906415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).