1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone

Name: 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₁NOS — CID 669874

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone

SMILESO=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1

InChIInChI=1S/C18H21NOS/c20-18(14-17-7-4-12-21-17)19-10-8-16(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2

InChIKeyVTVHFCONMFSZDV-UHFFFAOYSA-N

MW299.44 g/mol

LogP3.77

Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone

1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 669874) has the molecular formula C₁₈H₂₁NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name	1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID	669874
Molecular Formula	C₁₈H₂₁NOS
Molecular Weight	299.44 g/mol
Exact Mass	299.13
IUPAC Name	1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILES	O=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1
InChI	InChI=1S/C18H21NOS/c20-18(14-17-7-4-12-21-17)19-10-8-16(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2
InChIKey	VTVHFCONMFSZDV-UHFFFAOYSA-N
XLogP	3.77
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.44
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?

The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 669874) is 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone.

What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?

The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1.

What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?

The InChIKey is VTVHFCONMFSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c20-18(14-17-7-4-12-21-17)19-10-8-16(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2.

What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?

1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 299.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 669874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 669874 — identifiers, structure, computed properties (public domain)

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