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

3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (-)-
CID 10095047
(1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol
CID 9964277
3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (+)-
CID 10171275
3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol
CID 10214420
3-(Dimethylamino)-1-(2-thienyl)-1-propanol
CID 11586409
2-Thiophenemethanol, alpha-(1-(isopropylamino)ethyl)-, hydrochloride
CID 208074
2-Thiophenemethanol, alpha-(1-(sec-butylamino)ethyl)-, hydrochloride
CID 208080
4-Piperidinol, 1-butyl-4-(2-thienyl)-, hydrochloride
CID 3048608
(R)-3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-ol
CID 10103884
(1S)-3-(ethylamino)-1-thiophen-2-ylpropan-1-ol
CID 53390931
2-[(2,6-Dimethyloxan-4-yl)amino]-1-thiophen-2-ylethanol
CID 75497582
2-Piperidino-1-(2-thienyl)-1-ethanol
CID 299373

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).