1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine

C17H26N2O — CID 117438916

IUPAC1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(OC3CCCN(C)C3)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-13(18)17(9-10-17)14-5-7-15(8-6-14)20-16-4-3-11-19(2)12-16/h5-8,13,16H,3-4,9-12,18H2,1-2H3
InChIKeyXSSHCLBKADYGSO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.54
Rot. Bonds4

About 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine

1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine (PubChem CID 117438916) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
PubChem CID117438916
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(OC3CCCN(C)C3)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-13(18)17(9-10-17)14-5-7-15(8-6-14)20-16-4-3-11-19(2)12-16/h5-8,13,16H,3-4,9-12,18H2,1-2H3
InChIKeyXSSHCLBKADYGSO-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine 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-[1-[4-(thian-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117445027
1-methyl-3-[4-(2-methylpyrrolidin-2-yl)phenoxy]piperidine
CID 117438903
1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438913
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
CID 117467649
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
CID 134126069
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline
CID 89223990
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
CID 140799111
CID 140799111

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine (CID 117438916) is 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine is CC(N)C1(c2ccc(OC3CCCN(C)C3)cc2)CC1.
What is the InChIKey of 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine?
The InChIKey is XSSHCLBKADYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(18)17(9-10-17)14-5-7-15(8-6-14)20-16-4-3-11-19(2)12-16/h5-8,13,16H,3-4,9-12,18H2,1-2H3.
What are the key properties of 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine?
1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117438916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).