N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine

C18H23ClN2S — CID 44535881

IUPACN-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(Cl)s3)cc2)CC1
InChIInChI=1S/C18H23ClN2S/c1-2-21-11-9-16(10-12-21)20-13-14-3-5-15(6-4-14)17-7-8-18(19)22-17/h3-8,16,20H,2,9-13H2,1H3
InChIKeySDBVUIOUUPXEQG-UHFFFAOYSA-N
MW334.92 g/mol
LogP4.64
Rot. Bonds5

About N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine

N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine (PubChem CID 44535881) has the molecular formula C18H23ClN2S and a molecular weight of 334.92 g/mol. Its IUPAC name is N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
PubChem CID44535881
Molecular FormulaC18H23ClN2S
Molecular Weight334.92 g/mol
Exact Mass334.13
IUPAC NameN-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(Cl)s3)cc2)CC1
InChIInChI=1S/C18H23ClN2S/c1-2-21-11-9-16(10-12-21)20-13-14-3-5-15(6-4-14)17-7-8-18(19)22-17/h3-8,16,20H,2,9-13H2,1H3
InChIKeySDBVUIOUUPXEQG-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine (CID 44535881) is N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCc2ccc(-c3ccc(Cl)s3)cc2)CC1.
What is the InChIKey of N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The InChIKey is SDBVUIOUUPXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2S/c1-2-21-11-9-16(10-12-21)20-13-14-3-5-15(6-4-14)17-7-8-18(19)22-17/h3-8,16,20H,2,9-13H2,1H3.
What are the key properties of N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine?
N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine has a molecular weight of 334.92 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 44535881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).