2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline

C15H22N2 — CID 168888643

IUPAC2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline
SMILESCN1CCC(c2ccc(N)c(C3CC3)c2)CC1
InChIInChI=1S/C15H22N2/c1-17-8-6-11(7-9-17)13-4-5-15(16)14(10-13)12-2-3-12/h4-5,10-12H,2-3,6-9,16H2,1H3
InChIKeyWURDDMHQRDGBBN-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.96
Rot. Bonds2

About 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline

2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline (PubChem CID 168888643) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline.

Molecular Properties

Compound Name2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline
PubChem CID168888643
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline
SMILESCN1CCC(c2ccc(N)c(C3CC3)c2)CC1
InChIInChI=1S/C15H22N2/c1-17-8-6-11(7-9-17)13-4-5-15(16)14(10-13)12-2-3-12/h4-5,10-12H,2-3,6-9,16H2,1H3
InChIKeyWURDDMHQRDGBBN-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline?
The IUPAC name of 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline (CID 168888643) is 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline.
What is the SMILES notation for 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline?
The canonical SMILES for 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline is CN1CCC(c2ccc(N)c(C3CC3)c2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline?
The InChIKey is WURDDMHQRDGBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-8-6-11(7-9-17)13-4-5-15(16)14(10-13)12-2-3-12/h4-5,10-12H,2-3,6-9,16H2,1H3.
What are the key properties of 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline?
2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline has a molecular weight of 230.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline is sourced from PubChem (CID 168888643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).