2-(4-Benzylpiperidin-1-yl)ethan-1-amine

C14H22N2 — CID 2779831

IUPAC2-(4-benzylpiperidin-1-yl)ethanamine
SMILESC1CN(CCC1CC2=CC=CC=C2)CCN
InChIInChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeyPCNDXYHWLSHXMV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.00
Rot. Bonds4

About 2-(4-Benzylpiperidin-1-yl)ethan-1-amine

2-(4-Benzylpiperidin-1-yl)ethan-1-amine (PubChem CID 2779831) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-Benzylpiperidin-1-yl)ethan-1-amine
PubChem CID2779831
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(4-benzylpiperidin-1-yl)ethanamine
SMILESC1CN(CCC1CC2=CC=CC=C2)CCN
InChIInChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeyPCNDXYHWLSHXMV-UHFFFAOYSA-N
XLogP2.00
TPSA29.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Benzylpiperidin-1-yl)ethan-1-amine?
The IUPAC name of 2-(4-Benzylpiperidin-1-yl)ethan-1-amine (CID 2779831) is 2-(4-benzylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-Benzylpiperidin-1-yl)ethan-1-amine?
The canonical SMILES for 2-(4-Benzylpiperidin-1-yl)ethan-1-amine is C1CN(CCC1CC2=CC=CC=C2)CCN.
What is the InChIKey of 2-(4-Benzylpiperidin-1-yl)ethan-1-amine?
The InChIKey is PCNDXYHWLSHXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2.
What are the key properties of 2-(4-Benzylpiperidin-1-yl)ethan-1-amine?
2-(4-Benzylpiperidin-1-yl)ethan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Benzylpiperidin-1-yl)ethan-1-amine is sourced from PubChem (CID 2779831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).