(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol

C14H30N2O3S — CID 95314347

IUPAC(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H30N2O3S/c1-13(17)11-16-8-5-14(6-9-16)12-15(2)7-4-10-20(3,18)19/h13-14,17H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyQUGJGOKMWGUXSY-CYBMUJFWSA-N
MW306.47 g/mol
LogP0.45
Rot. Bonds8

About (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95314347) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95314347
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H30N2O3S/c1-13(17)11-16-8-5-14(6-9-16)12-15(2)7-4-10-20(3,18)19/h13-14,17H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyQUGJGOKMWGUXSY-CYBMUJFWSA-N
XLogP0.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]ethanol
CID 56802566
4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 71925951
(2R)-1-[4-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 97087148
(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95327699
(2S)-N-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide
CID 97215492
(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide
CID 98847541
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
CID 64585741

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol (CID 95314347) is (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CN(C)CCCS(C)(=O)=O)CC1.
What is the InChIKey of (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is QUGJGOKMWGUXSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-13(17)11-16-8-5-14(6-9-16)12-15(2)7-4-10-20(3,18)19/h13-14,17H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 306.47 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95314347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).