2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine

C16H24N2 — CID 79977584

IUPAC2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C16H24N2/c1-2-18-11-5-8-15(17)16(18)14-7-4-3-6-13(14)12-9-10-12/h3-4,6-7,12,15-16H,2,5,8-11,17H2,1H3
InChIKeyDSZTXVRZXAIBLY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.05
Rot. Bonds3

About 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine

2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine (PubChem CID 79977584) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
PubChem CID79977584
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C16H24N2/c1-2-18-11-5-8-15(17)16(18)14-7-4-3-6-13(14)12-9-10-12/h3-4,6-7,12,15-16H,2,5,8-11,17H2,1H3
InChIKeyDSZTXVRZXAIBLY-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine?
The IUPAC name of 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine (CID 79977584) is 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine is CCN1CCCC(N)C1c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine?
The InChIKey is DSZTXVRZXAIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-18-11-5-8-15(17)16(18)14-7-4-3-6-13(14)12-9-10-12/h3-4,6-7,12,15-16H,2,5,8-11,17H2,1H3.
What are the key properties of 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine?
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 79977584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).