1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine

C17H26N2O2 — CID 117469553

IUPAC1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine
SMILESCOc1c(OC2CCCNC2)cccc1C1(C(C)N)CC1
InChIInChI=1S/C17H26N2O2/c1-12(18)17(8-9-17)14-6-3-7-15(16(14)20-2)21-13-5-4-10-19-11-13/h3,6-7,12-13,19H,4-5,8-11,18H2,1-2H3
InChIKeyNTLNFUFPVXWZAK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds5

About 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine

1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine (PubChem CID 117469553) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine
PubChem CID117469553
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine
SMILESCOc1c(OC2CCCNC2)cccc1C1(C(C)N)CC1
InChIInChI=1S/C17H26N2O2/c1-12(18)17(8-9-17)14-6-3-7-15(16(14)20-2)21-13-5-4-10-19-11-13/h3,6-7,12-13,19H,4-5,8-11,18H2,1-2H3
InChIKeyNTLNFUFPVXWZAK-UHFFFAOYSA-N
XLogP2.20
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 117381500
1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
CID 117447792
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
CID 117446650
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470801
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
3-(2-iodophenoxy)piperidine
CID 56831165
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine (CID 117469553) is 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine is COc1c(OC2CCCNC2)cccc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine?
The InChIKey is NTLNFUFPVXWZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(18)17(8-9-17)14-6-3-7-15(16(14)20-2)21-13-5-4-10-19-11-13/h3,6-7,12-13,19H,4-5,8-11,18H2,1-2H3.
What are the key properties of 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine?
1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117469553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).