1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol

C14H23NOS — CID 58333114

IUPAC1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol
SMILESCC(C)(C)c1csc(CN2CCC(O)CC2)c1
InChIInChI=1S/C14H23NOS/c1-14(2,3)11-8-13(17-10-11)9-15-6-4-12(16)5-7-15/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyQDNHZCXTRVERCB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.00
Rot. Bonds2

About 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol

1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol (PubChem CID 58333114) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol
PubChem CID58333114
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol
SMILESCC(C)(C)c1csc(CN2CCC(O)CC2)c1
InChIInChI=1S/C14H23NOS/c1-14(2,3)11-8-13(17-10-11)9-15-6-4-12(16)5-7-15/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyQDNHZCXTRVERCB-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol (CID 58333114) is 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol is CC(C)(C)c1csc(CN2CCC(O)CC2)c1.
What is the InChIKey of 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol?
The InChIKey is QDNHZCXTRVERCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,3)11-8-13(17-10-11)9-15-6-4-12(16)5-7-15/h8,10,12,16H,4-7,9H2,1-3H3.
What are the key properties of 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol?
1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol has a molecular weight of 253.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylthiophen-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 58333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).