4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline

C17H26N2O — CID 102963363

IUPAC4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline
SMILESCOC1CN(CC2(c3ccc(N)cc3)CC2)CCC1C
InChIInChI=1S/C17H26N2O/c1-13-7-10-19(11-16(13)20-2)12-17(8-9-17)14-3-5-15(18)6-4-14/h3-6,13,16H,7-12,18H2,1-2H3
InChIKeySRMFGLRDNRJUOK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds4

About 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline

4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline (PubChem CID 102963363) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline
PubChem CID102963363
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline
SMILESCOC1CN(CC2(c3ccc(N)cc3)CC2)CCC1C
InChIInChI=1S/C17H26N2O/c1-13-7-10-19(11-16(13)20-2)12-17(8-9-17)14-3-5-15(18)6-4-14/h3-6,13,16H,7-12,18H2,1-2H3
InChIKeySRMFGLRDNRJUOK-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline (CID 102963363) is 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline is COC1CN(CC2(c3ccc(N)cc3)CC2)CCC1C.
What is the InChIKey of 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline?
The InChIKey is SRMFGLRDNRJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-10-19(11-16(13)20-2)12-17(8-9-17)14-3-5-15(18)6-4-14/h3-6,13,16H,7-12,18H2,1-2H3.
What are the key properties of 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline?
4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline has a molecular weight of 274.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline is sourced from PubChem (CID 102963363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).