4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol

C15H24N2OS — CID 156601744

IUPAC4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol
SMILESCC1(O)CCN(Cc2cccs2)CC1N1CCCC1
InChIInChI=1S/C15H24N2OS/c1-15(18)6-9-16(11-13-5-4-10-19-13)12-14(15)17-7-2-3-8-17/h4-5,10,14,18H,2-3,6-9,11-12H2,1H3
InChIKeyJRXSPSRVZIXOGI-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.17
Rot. Bonds3

About 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol

4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol (PubChem CID 156601744) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol
PubChem CID156601744
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol
SMILESCC1(O)CCN(Cc2cccs2)CC1N1CCCC1
InChIInChI=1S/C15H24N2OS/c1-15(18)6-9-16(11-13-5-4-10-19-13)12-14(15)17-7-2-3-8-17/h4-5,10,14,18H,2-3,6-9,11-12H2,1H3
InChIKeyJRXSPSRVZIXOGI-UHFFFAOYSA-N
XLogP2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-Isopropyl-4-(2-thienylmethyl)piperazin-2-yl]ethanol
CID 16191533
2-[1-(3-Methylbutyl)-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16189110
(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
3-[(Dimethylamino)methyl]-1-[(3-methyl-2-thienyl)methyl]-3-piperidinol
CID 56892857
4-Methyl-1-[(5-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156601737
4-Methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156601740
{(3S,4S)-3-(dimethylamino)-1-[(5-methyl-2-thienyl)methyl]hexahydro-4-pyridinyl}methanol
CID 91915666
2-{1-(3-Methyl-2-buten-1-yl)-4-[(3-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 45220980
1-(Thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 75509384
1-(4-Fluorooxolan-3-yl)-4-[(3-methylthiophen-2-yl)methyl]piperazine
CID 126857899
rac-(3R,4R)-4-fluoro-1-{[4-(piperidin-1-ylmethyl)-2-thienyl]methyl}pyrrolidin-3-ol diformate
CID 131929066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol (CID 156601744) is 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol is CC1(O)CCN(Cc2cccs2)CC1N1CCCC1.
What is the InChIKey of 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The InChIKey is JRXSPSRVZIXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(18)6-9-16(11-13-5-4-10-19-13)12-14(15)17-7-2-3-8-17/h4-5,10,14,18H,2-3,6-9,11-12H2,1H3.
What are the key properties of 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol has a molecular weight of 280.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 156601744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).