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

C16H24N2O2 — CID 63563818

IUPAC1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
SMILESCc1ccc(OC2CCOC2)c(N2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-2-3-16(20-14-6-9-19-11-14)15(10-12)18-7-4-13(17)5-8-18/h2-3,10,13-14H,4-9,11,17H2,1H3
InChIKeyXHUKEJFVZQMVEO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.09
Rot. Bonds3

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

1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine (PubChem CID 63563818) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
PubChem CID63563818
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
SMILESCc1ccc(OC2CCOC2)c(N2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-2-3-16(20-14-6-9-19-11-14)15(10-12)18-7-4-13(17)5-8-18/h2-3,10,13-14H,4-9,11,17H2,1H3
InChIKeyXHUKEJFVZQMVEO-UHFFFAOYSA-N
XLogP2.09
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137312
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
1-(2-ethoxy-5-methylphenyl)piperidin-4-amine
CID 55063114
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63557171
1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
CID 63564203
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
CID 142614400

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine (CID 63563818) is 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine is Cc1ccc(OC2CCOC2)c(N2CCC(N)CC2)c1.
What is the InChIKey of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine?
The InChIKey is XHUKEJFVZQMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-2-3-16(20-14-6-9-19-11-14)15(10-12)18-7-4-13(17)5-8-18/h2-3,10,13-14H,4-9,11,17H2,1H3.
What are the key properties of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine?
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.09, 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-(oxolan-3-yloxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 63563818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).