N-(2-phenylpropyl)-1-propylpiperidin-4-amine

C17H28N2 — CID 2846253

IUPACN-(2-phenylpropyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-11-19-12-9-17(10-13-19)18-14-15(2)16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyLVTPGQLLYCAFDE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.25
Rot. Bonds6

About N-(2-phenylpropyl)-1-propylpiperidin-4-amine

N-(2-phenylpropyl)-1-propylpiperidin-4-amine (PubChem CID 2846253) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-propylpiperidin-4-amine
PubChem CID2846253
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(2-phenylpropyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-11-19-12-9-17(10-13-19)18-14-15(2)16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyLVTPGQLLYCAFDE-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-phenylpropyl)-1-propylpiperidin-4-amine (CID 2846253) is N-(2-phenylpropyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-phenylpropyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-phenylpropyl)-1-propylpiperidin-4-amine is CCCN1CCC(NCC(C)c2ccccc2)CC1.
What is the InChIKey of N-(2-phenylpropyl)-1-propylpiperidin-4-amine?
The InChIKey is LVTPGQLLYCAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-11-19-12-9-17(10-13-19)18-14-15(2)16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3.
What are the key properties of N-(2-phenylpropyl)-1-propylpiperidin-4-amine?
N-(2-phenylpropyl)-1-propylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 2846253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).