2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine

C18H28N2 — CID 79978225

IUPAC2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine
SMILESCC(C)CN1CCCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C18H28N2/c1-13(2)12-20-11-5-8-17(19)18(20)16-7-4-3-6-15(16)14-9-10-14/h3-4,6-7,13-14,17-18H,5,8-12,19H2,1-2H3
InChIKeyVZIDEFIROUQSGD-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine

2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine (PubChem CID 79978225) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine
PubChem CID79978225
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine
SMILESCC(C)CN1CCCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C18H28N2/c1-13(2)12-20-11-5-8-17(19)18(20)16-7-4-3-6-15(16)14-9-10-14/h3-4,6-7,13-14,17-18H,5,8-12,19H2,1-2H3
InChIKeyVZIDEFIROUQSGD-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.68
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-(2-methylpropyl)piperidin-3-amine?
The IUPAC name of 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine (CID 79978225) is 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine is CC(C)CN1CCCC(N)C1c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine?
The InChIKey is VZIDEFIROUQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)12-20-11-5-8-17(19)18(20)16-7-4-3-6-15(16)14-9-10-14/h3-4,6-7,13-14,17-18H,5,8-12,19H2,1-2H3.
What are the key properties of 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine?
2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine is sourced from PubChem (CID 79978225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).