tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate

C19H28N2O2 — CID 166765265

IUPACtert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNCC1)C1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21(15-9-11-20-12-10-15)17-13-16(17)14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t16-,17?/m1/s1
InChIKeyARAPUYJVBOYCML-TZHYSIJRSA-N
MW316.45 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate

tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate (PubChem CID 166765265) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
PubChem CID166765265
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNCC1)C1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21(15-9-11-20-12-10-15)17-13-16(17)14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t16-,17?/m1/s1
InChIKeyARAPUYJVBOYCML-TZHYSIJRSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129279853
tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129290819
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
CID 134861468
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
1-[(1R)-2-phenylcyclopropyl]-1-piperidin-4-ylhydrazine
CID 155021921
tert-butyl N-[1-[3-(3-methylphenoxy)-2-oxopropyl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 134494162
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
CID 67227612
tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 146423959
tert-butyl N-[1-[2-(4-morpholin-4-ylphenoxy)ethyl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129279826

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate (CID 166765265) is tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(C1CCNCC1)C1C[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate?
The InChIKey is ARAPUYJVBOYCML-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21(15-9-11-20-12-10-15)17-13-16(17)14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t16-,17?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate?
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate has a molecular weight of 316.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 166765265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).