1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine

C17H26N2O2 — CID 107137312

IUPAC1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
SMILESCc1ccc(OC2CCCOC2)c(N2CCC(N)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13-4-5-17(21-15-3-2-10-20-12-15)16(11-13)19-8-6-14(18)7-9-19/h4-5,11,14-15H,2-3,6-10,12,18H2,1H3
InChIKeyQEHQTIFRTZWPFU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds3

About 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine

1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine (PubChem CID 107137312) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
PubChem CID107137312
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
SMILESCc1ccc(OC2CCCOC2)c(N2CCC(N)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13-4-5-17(21-15-3-2-10-20-12-15)16(11-13)19-8-6-14(18)7-9-19/h4-5,11,14-15H,2-3,6-10,12,18H2,1H3
InChIKeyQEHQTIFRTZWPFU-UHFFFAOYSA-N
XLogP2.48
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
CID 63563818
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
1-(2-ethoxy-5-methylphenyl)piperidin-4-amine
CID 55063114
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
CID 63564203
1-[3-methyl-4-(oxan-3-yloxy)phenyl]-1,4-diazepane
CID 107137317
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
CID 63214524
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine (CID 107137312) is 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine is Cc1ccc(OC2CCCOC2)c(N2CCC(N)CC2)c1.
What is the InChIKey of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine?
The InChIKey is QEHQTIFRTZWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-4-5-17(21-15-3-2-10-20-12-15)16(11-13)19-8-6-14(18)7-9-19/h4-5,11,14-15H,2-3,6-10,12,18H2,1H3.
What are the key properties of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine?
1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 107137312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).