tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate

C13H25NO3 — CID 69161841

IUPACtert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
SMILESCC(O)CC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-10(15)8-11-6-5-7-14(9-11)12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyJLWOQNIJWPWWAZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate

tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 69161841) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
PubChem CID69161841
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
SMILESCC(O)CC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-10(15)8-11-6-5-7-14(9-11)12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyJLWOQNIJWPWWAZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 83913154
3-[(2-methylpropan-2-yl)oxy]-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-3-oxopropanoic acid
CID 175245735
(2S)-2-amino-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 27281827
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
CID 165459517
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
tert-butyl 3-(chlorosulfinylmethyl)piperidine-1-carboxylate
CID 165452616

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate (CID 69161841) is tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate is CC(O)CC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is JLWOQNIJWPWWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(15)8-11-6-5-7-14(9-11)12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate?
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 69161841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).