2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline

C18H26N2 — CID 68535170

IUPAC2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline
SMILESNc1ccc(C2CCNCC2)cc1C1=CCCCCC1
InChIInChI=1S/C18H26N2/c19-18-8-7-16(14-9-11-20-12-10-14)13-17(18)15-5-3-1-2-4-6-15/h5,7-8,13-14,20H,1-4,6,9-12,19H2
InChIKeyKSXFYZAHHPRRRF-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.08
Rot. Bonds2

About 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline

2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline (PubChem CID 68535170) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline
PubChem CID68535170
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline
SMILESNc1ccc(C2CCNCC2)cc1C1=CCCCCC1
InChIInChI=1S/C18H26N2/c19-18-8-7-16(14-9-11-20-12-10-14)13-17(18)15-5-3-1-2-4-6-15/h5,7-8,13-14,20H,1-4,6,9-12,19H2
InChIKeyKSXFYZAHHPRRRF-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
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-(cyclohepten-1-yl)-4-piperidin-4-ylaniline?
The IUPAC name of 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline (CID 68535170) is 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline.
What is the SMILES notation for 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline?
The canonical SMILES for 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline is Nc1ccc(C2CCNCC2)cc1C1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline?
The InChIKey is KSXFYZAHHPRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c19-18-8-7-16(14-9-11-20-12-10-14)13-17(18)15-5-3-1-2-4-6-15/h5,7-8,13-14,20H,1-4,6,9-12,19H2.
What are the key properties of 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline?
2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline has a molecular weight of 270.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-4-piperidin-4-ylaniline is sourced from PubChem (CID 68535170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).