[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine

C17H26N2O2 — CID 117469339

IUPAC[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)c(OC)cc1N1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-20-15-11-14(19-8-4-3-5-9-19)16(21-2)10-13(15)17(12-18)6-7-17/h10-11H,3-9,12,18H2,1-2H3
InChIKeyFIDDTRXGWBHMFH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds5

About [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine

[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine (PubChem CID 117469339) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine
PubChem CID117469339
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)c(OC)cc1N1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-20-15-11-14(19-8-4-3-5-9-19)16(21-2)10-13(15)17(12-18)6-7-17/h10-11H,3-9,12,18H2,1-2H3
InChIKeyFIDDTRXGWBHMFH-UHFFFAOYSA-N
XLogP2.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117490712
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine (CID 117469339) is [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine is COc1cc(C2(CN)CC2)c(OC)cc1N1CCCCC1.
What is the InChIKey of [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine?
The InChIKey is FIDDTRXGWBHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-15-11-14(19-8-4-3-5-9-19)16(21-2)10-13(15)17(12-18)6-7-17/h10-11H,3-9,12,18H2,1-2H3.
What are the key properties of [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine?
[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117469339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).