2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine

C17H26N2 — CID 79977748

IUPAC2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CCCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C17H26N2/c1-12(2)19-10-4-7-16(18)17(19)15-6-3-5-14(11-15)13-8-9-13/h3,5-6,11-13,16-17H,4,7-10,18H2,1-2H3
InChIKeyJJBKEEDEXVZRPX-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine

2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine (PubChem CID 79977748) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
PubChem CID79977748
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CCCC(N)C1c1cccc(C2CC2)c1
InChIInChI=1S/C17H26N2/c1-12(2)19-10-4-7-16(18)17(19)15-6-3-5-14(11-15)13-8-9-13/h3,5-6,11-13,16-17H,4,7-10,18H2,1-2H3
InChIKeyJJBKEEDEXVZRPX-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine (CID 79977748) is 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine is CC(C)N1CCCC(N)C1c1cccc(C2CC2)c1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is JJBKEEDEXVZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)19-10-4-7-16(18)17(19)15-6-3-5-14(11-15)13-8-9-13/h3,5-6,11-13,16-17H,4,7-10,18H2,1-2H3.
What are the key properties of 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine?
2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 79977748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).