methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate

C13H25NO4 — CID 79038191

IUPACmethyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CC(O)COC(C)C)C1
InChIInChI=1S/C13H25NO4/c1-10(2)18-9-12(15)8-14-6-4-5-11(7-14)13(16)17-3/h10-12,15H,4-9H2,1-3H3/t11-,12?/m0/s1
InChIKeyYFXYQFWKWCMVBN-PXYINDEMSA-N
MW259.35 g/mol
LogP0.66
Rot. Bonds6

About methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate

methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate (PubChem CID 79038191) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
PubChem CID79038191
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CC(O)COC(C)C)C1
InChIInChI=1S/C13H25NO4/c1-10(2)18-9-12(15)8-14-6-4-5-11(7-14)13(16)17-3/h10-12,15H,4-9H2,1-3H3/t11-,12?/m0/s1
InChIKeyYFXYQFWKWCMVBN-PXYINDEMSA-N
XLogP0.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78921362
methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11087384
1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate (CID 79038191) is methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(CC(O)COC(C)C)C1.
What is the InChIKey of methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate?
The InChIKey is YFXYQFWKWCMVBN-PXYINDEMSA-N. The full InChI is InChI=1S/C13H25NO4/c1-10(2)18-9-12(15)8-14-6-4-5-11(7-14)13(16)17-3/h10-12,15H,4-9H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate is sourced from PubChem (CID 79038191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).