1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine

C18H31NS — CID 13423382

IUPAC1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine
SMILESCC1CCN(CC(C)Cc2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H31NS/c1-14-8-10-19(11-9-14)13-15(2)12-16-6-7-17(20-16)18(3,4)5/h6-7,14-15H,8-13H2,1-5H3
InChIKeyKMDNZFQVCBVUBO-UHFFFAOYSA-N
MW293.52 g/mol
LogP4.96
Rot. Bonds4

About 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine

1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine (PubChem CID 13423382) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine
PubChem CID13423382
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine
SMILESCC1CCN(CC(C)Cc2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H31NS/c1-14-8-10-19(11-9-14)13-15(2)12-16-6-7-17(20-16)18(3,4)5/h6-7,14-15H,8-13H2,1-5H3
InChIKeyKMDNZFQVCBVUBO-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine?
The IUPAC name of 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine (CID 13423382) is 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine.
What is the SMILES notation for 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine?
The canonical SMILES for 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine is CC1CCN(CC(C)Cc2ccc(C(C)(C)C)s2)CC1.
What is the InChIKey of 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine?
The InChIKey is KMDNZFQVCBVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-14-8-10-19(11-9-14)13-15(2)12-16-6-7-17(20-16)18(3,4)5/h6-7,14-15H,8-13H2,1-5H3.
What are the key properties of 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine?
1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine has a molecular weight of 293.52 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-tert-butylthiophen-2-yl)-2-methylpropyl]-4-methylpiperidine is sourced from PubChem (CID 13423382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).