tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate

C13H26N2O2 — CID 130763732

IUPACtert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
SMILESCCC[C@@H]1CCNC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-10-7-8-14-9-11(10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyJTQIGVWFXPVWCN-GHMZBOCLSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate

tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate (PubChem CID 130763732) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
PubChem CID130763732
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
SMILESCCC[C@@H]1CCNC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-10-7-8-14-9-11(10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyJTQIGVWFXPVWCN-GHMZBOCLSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3R)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
CID 174031687
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate (CID 130763732) is tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate is CCC[C@@H]1CCNC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate?
The InChIKey is JTQIGVWFXPVWCN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-6-10-7-8-14-9-11(10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 130763732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).