2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine

C14H20N2 — CID 59628067

IUPAC2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
SMILESNC1CC1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H20N2/c15-14-10-13(14)11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7,13-14H,1-3,8-10,15H2
InChIKeyMNLIITAQGQFOCT-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.49
Rot. Bonds2

About 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine

2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine (PubChem CID 59628067) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
PubChem CID59628067
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
SMILESNC1CC1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H20N2/c15-14-10-13(14)11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7,13-14H,1-3,8-10,15H2
InChIKeyMNLIITAQGQFOCT-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine (CID 59628067) is 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine is NC1CC1c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine?
The InChIKey is MNLIITAQGQFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-14-10-13(14)11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7,13-14H,1-3,8-10,15H2.
What are the key properties of 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine?
2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 59628067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).