tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate

C13H24N2O2 — CID 95912362

IUPACtert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-10-5-4-8-15(9-10)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyDYRDVZUFCDJENT-SNVBAGLBSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate (PubChem CID 95912362) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
PubChem CID95912362
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-10-5-4-8-15(9-10)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyDYRDVZUFCDJENT-SNVBAGLBSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
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CID 124909009
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
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tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
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tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
CID 122432272
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
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tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate (CID 95912362) is tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate?
The InChIKey is DYRDVZUFCDJENT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-10-5-4-8-15(9-10)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,14,16)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate is sourced from PubChem (CID 95912362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).