4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol

C16H26N2OS — CID 156601740

IUPAC4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1ccsc1CN1CCC(C)(O)C(N2CCCC2)C1
InChIInChI=1S/C16H26N2OS/c1-13-5-10-20-14(13)11-17-9-6-16(2,19)15(12-17)18-7-3-4-8-18/h5,10,15,19H,3-4,6-9,11-12H2,1-2H3
InChIKeyBMUPMOYFEIVYFA-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol

4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 156601740) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID156601740
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1ccsc1CN1CCC(C)(O)C(N2CCCC2)C1
InChIInChI=1S/C16H26N2OS/c1-13-5-10-20-14(13)11-17-9-6-16(2,19)15(12-17)18-7-3-4-8-18/h5,10,15,19H,3-4,6-9,11-12H2,1-2H3
InChIKeyBMUPMOYFEIVYFA-UHFFFAOYSA-N
XLogP2.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-Methylbutyl)-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16189110
4-(5-{[3-(2-Hydroxyethyl)-4-(3-thienylmethyl)-1-piperazinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol
CID 16191166
(3R,4R)-4-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053298
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
[1-[(3-Methylthiophen-2-yl)methyl]piperidin-2-yl]methanol
CID 2843228
3-[(Dimethylamino)methyl]-1-[(3-methyl-2-thienyl)methyl]-3-piperidinol
CID 56892857
[1-[(3-Methyl-2-thienyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91777986
4-Methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156601737
4-Methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 156601744
4-[5-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]thiophen-2-yl]-2-methylbut-3-yn-2-ol
CID 30733270
(2S)-N-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 100151976
2-{1-(3-Methyl-2-buten-1-yl)-4-[(3-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol (CID 156601740) is 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol is Cc1ccsc1CN1CCC(C)(O)C(N2CCCC2)C1.
What is the InChIKey of 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is BMUPMOYFEIVYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-5-10-20-14(13)11-17-9-6-16(2,19)15(12-17)18-7-3-4-8-18/h5,10,15,19H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol?
4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 294.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 156601740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).