3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol

C16H27NOS2 — CID 82074571

IUPAC3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
SMILESCCCSc1ccc(C(O)CCN2CCCCC2C)s1
InChIInChI=1S/C16H27NOS2/c1-3-12-19-16-8-7-15(20-16)14(18)9-11-17-10-5-4-6-13(17)2/h7-8,13-14,18H,3-6,9-12H2,1-2H3
InChIKeyRQVKVFSVVYUYJX-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.55
Rot. Bonds7

About 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol

3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol (PubChem CID 82074571) has the molecular formula C16H27NOS2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
PubChem CID82074571
Molecular FormulaC16H27NOS2
Molecular Weight313.53 g/mol
Exact Mass313.15
IUPAC Name3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
SMILESCCCSc1ccc(C(O)CCN2CCCCC2C)s1
InChIInChI=1S/C16H27NOS2/c1-3-12-19-16-8-7-15(20-16)14(18)9-11-17-10-5-4-6-13(17)2/h7-8,13-14,18H,3-6,9-12H2,1-2H3
InChIKeyRQVKVFSVVYUYJX-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073567
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111702019
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111702018
1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62625055
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 43193227
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol (CID 82074571) is 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol is CCCSc1ccc(C(O)CCN2CCCCC2C)s1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
The InChIKey is RQVKVFSVVYUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS2/c1-3-12-19-16-8-7-15(20-16)14(18)9-11-17-10-5-4-6-13(17)2/h7-8,13-14,18H,3-6,9-12H2,1-2H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol has a molecular weight of 313.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 82074571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).