3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine

C18H29NS — CID 10661277

IUPAC3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine
SMILESCC1(C)CCCN(CCCC2CCCc3sccc32)C1
InChIInChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
InChIKeyKQSXQUZXGHYYNK-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.07
Rot. Bonds4

About 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine

3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine (PubChem CID 10661277) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine
PubChem CID10661277
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine
SMILESCC1(C)CCCN(CCCC2CCCc3sccc32)C1
InChIInChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
InChIKeyKQSXQUZXGHYYNK-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine 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 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine?
The IUPAC name of 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine (CID 10661277) is 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine?
The canonical SMILES for 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine is CC1(C)CCCN(CCCC2CCCc3sccc32)C1.
What is the InChIKey of 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine?
The InChIKey is KQSXQUZXGHYYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine?
3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine has a molecular weight of 291.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propyl]piperidine is sourced from PubChem (CID 10661277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).