2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline

C57H96N6O5 — CID 144966604

About 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline

2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline (PubChem CID 144966604) has the molecular formula C57H96N6O5 and a molecular weight of 945.43 g/mol. Its IUPAC name is 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline.

Molecular Properties

• Compound Name: 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline
• PubChem CID: 144966604
• Molecular Formula: C57H96N6O5
• Molecular Weight: 945.43 g/mol
• Exact Mass: 944.74
• IUPAC Name: 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline
• SMILES: CC.CC.COCC1CC(c2cc(OC(C)C)c(N)cc2C)CCN1C.COCC1CC(c2cc(OC3CC3)c(N)cc2C)CCN1C.Cc1cc(N)c(OC2CC2)cc1C1CCN(C)CC1C
• InChI: InChI=1S/C18H28N2O2.C18H30N2O2.C17H26N2O.2C2H6/c1-12-8-17(19)18(22-15-4-5-15)10-16(12)13-6-7-20(2)14(9-13)11-21-3;1-12(2)22-18-10-16(13(3)8-17(18)19)14-6-7-20(4)15(9-14)11-21-5;1-11-8-16(18)17(20-13-4-5-13)9-15(11)14-6-7-19(3)10-12(14)2;2*1-2/h8,10,13-15H,4-7,9,11,19H2,1-3H3;8,10,12,14-15H,6-7,9,11,19H2,1-5H3;8-9,12-14H,4-7,10,18H2,1-3H3;2*1-2H3
• InChIKey: ZRZBVEKJEZNGEN-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 133.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.43
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline?

The IUPAC name of 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline (CID 144966604) is 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline.

What is the SMILES notation for 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline?

The canonical SMILES for 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline is CC.CC.COCC1CC(c2cc(OC(C)C)c(N)cc2C)CCN1C.COCC1CC(c2cc(OC3CC3)c(N)cc2C)CCN1C.Cc1cc(N)c(OC2CC2)cc1C1CCN(C)CC1C.

What is the InChIKey of 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline?

The InChIKey is ZRZBVEKJEZNGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C18H30N2O2.C17H26N2O.2C2H6/c1-12-8-17(19)18(22-15-4-5-15)10-16(12)13-6-7-20(2)14(9-13)11-21-3;1-12(2)22-18-10-16(13(3)8-17(18)19)14-6-7-20(4)15(9-14)11-21-5;1-11-8-16(18)17(20-13-4-5-13)9-15(11)14-6-7-19(3)10-12(14)2;2*1-2/h8,10,13-15H,4-7,9,11,19H2,1-3H3;8,10,12,14-15H,6-7,9,11,19H2,1-5H3;8-9,12-14H,4-7,10,18H2,1-3H3;2*1-2H3.

What are the key properties of 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline?

2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline has a molecular weight of 945.43 g/mol, XLogP of 11.36, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 144966604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).