2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline

C16H23FN2O — CID 118550114

IUPAC2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline
SMILESCc1cc(N)c(OC2CC2)cc1C1CCN(C)CC1F
InChIInChI=1S/C16H23FN2O/c1-10-7-15(18)16(20-11-3-4-11)8-13(10)12-5-6-19(2)9-14(12)17/h7-8,11-12,14H,3-6,9,18H2,1-2H3
InChIKeyQSJKEMTYOUGCPM-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.88
Rot. Bonds3

About 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline

2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline (PubChem CID 118550114) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline.

Molecular Properties

Compound Name2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline
PubChem CID118550114
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline
SMILESCc1cc(N)c(OC2CC2)cc1C1CCN(C)CC1F
InChIInChI=1S/C16H23FN2O/c1-10-7-15(18)16(20-11-3-4-11)8-13(10)12-5-6-19(2)9-14(12)17/h7-8,11-12,14H,3-6,9,18H2,1-2H3
InChIKeyQSJKEMTYOUGCPM-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.88
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 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline?
The IUPAC name of 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline (CID 118550114) is 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline.
What is the SMILES notation for 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline?
The canonical SMILES for 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline is Cc1cc(N)c(OC2CC2)cc1C1CCN(C)CC1F.
What is the InChIKey of 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline?
The InChIKey is QSJKEMTYOUGCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10-7-15(18)16(20-11-3-4-11)8-13(10)12-5-6-19(2)9-14(12)17/h7-8,11-12,14H,3-6,9,18H2,1-2H3.
What are the key properties of 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline?
2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline has a molecular weight of 278.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-4-(3-fluoro-1-methylpiperidin-4-yl)-5-methylaniline is sourced from PubChem (CID 118550114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).