1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine

C17H26N2O2 — CID 65166577

IUPAC1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(OCCC3CCCO3)cc2)CC1
InChIInChI=1S/C17H26N2O2/c18-14-7-10-19(11-8-14)15-3-5-17(6-4-15)21-13-9-16-2-1-12-20-16/h3-6,14,16H,1-2,7-13,18H2
InChIKeyCLLBABPGKAUEKE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine

1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine (PubChem CID 65166577) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
PubChem CID65166577
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(OCCC3CCCO3)cc2)CC1
InChIInChI=1S/C17H26N2O2/c18-14-7-10-19(11-8-14)15-3-5-17(6-4-15)21-13-9-16-2-1-12-20-16/h3-6,14,16H,1-2,7-13,18H2
InChIKeyCLLBABPGKAUEKE-UHFFFAOYSA-N
XLogP2.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane
CID 65166523
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
1-[5-[2-(oxolan-2-yl)ethoxy]-3-pyridinyl]piperidin-3-amine
CID 65165890
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine
CID 65201976
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine?
The IUPAC name of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine (CID 65166577) is 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine is NC1CCN(c2ccc(OCCC3CCCO3)cc2)CC1.
What is the InChIKey of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine?
The InChIKey is CLLBABPGKAUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-14-7-10-19(11-8-14)15-3-5-17(6-4-15)21-13-9-16-2-1-12-20-16/h3-6,14,16H,1-2,7-13,18H2.
What are the key properties of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine?
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine is sourced from PubChem (CID 65166577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).