1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine

C16H26N2O2 — CID 117446650

IUPAC1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
SMILESCOc1c(CC(C)(C)N)cccc1OC1CCCNC1
InChIInChI=1S/C16H26N2O2/c1-16(2,17)10-12-6-4-8-14(15(12)19-3)20-13-7-5-9-18-11-13/h4,6,8,13,18H,5,7,9-11,17H2,1-3H3
InChIKeyKVVYTCUNASWRNK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine

1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine (PubChem CID 117446650) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
PubChem CID117446650
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
SMILESCOc1c(CC(C)(C)N)cccc1OC1CCCNC1
InChIInChI=1S/C16H26N2O2/c1-16(2,17)10-12-6-4-8-14(15(12)19-3)20-13-7-5-9-18-11-13/h4,6,8,13,18H,5,7,9-11,17H2,1-3H3
InChIKeyKVVYTCUNASWRNK-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 117381500
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine
CID 117469553
2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
CID 117447792
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
CID 117415762
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
2-[2-methoxy-3-(thian-4-yloxy)phenyl]acetonitrile
CID 117413381
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine (CID 117446650) is 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine is COc1c(CC(C)(C)N)cccc1OC1CCCNC1.
What is the InChIKey of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine?
The InChIKey is KVVYTCUNASWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,17)10-12-6-4-8-14(15(12)19-3)20-13-7-5-9-18-11-13/h4,6,8,13,18H,5,7,9-11,17H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine?
1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117446650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).