1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H23NO2S — CID 3558901

IUPAC1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC1CCCN(CC(O)COCc2cccs2)C1
InChIInChI=1S/C14H23NO2S/c1-12-4-2-6-15(8-12)9-13(16)10-17-11-14-5-3-7-18-14/h3,5,7,12-13,16H,2,4,6,8-11H2,1H3
InChIKeyCWPHILRFAQIKAQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.36
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 3558901) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID3558901
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC1CCCN(CC(O)COCc2cccs2)C1
InChIInChI=1S/C14H23NO2S/c1-12-4-2-6-15(8-12)9-13(16)10-17-11-14-5-3-7-18-14/h3,5,7,12-13,16H,2,4,6,8-11H2,1H3
InChIKeyCWPHILRFAQIKAQ-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998646
1-(Azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol;hydrochloride
CID 6602875
4-Propyl-2-thiophen-2-ylmorpholine
CID 15006486
1-[Cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2999457
Ethyl 1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxylate
CID 4610762
1-(Morpholin-4-yl)-3-(thiophen-2-yl)hex-5-en-3-ol--hydrogen chloride (1/1)
CID 200542
1-(Azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998308
1-[Methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 3551676
1-Morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 4115294
1-[4-(2-Hydroxypropyl)-3-methylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802799
2-[2-(Diethylamino)ethoxy]-2-thiophen-2-ylethanol
CID 68725588
1-Morpholin-4-yl-3-thiophen-2-ylhex-5-en-3-ol
CID 200543

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 3558901) is 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is CC1CCCN(CC(O)COCc2cccs2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is CWPHILRFAQIKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12-4-2-6-15(8-12)9-13(16)10-17-11-14-5-3-7-18-14/h3,5,7,12-13,16H,2,4,6,8-11H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 3558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).