benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate

C16H22N2O2 — CID 130138209

IUPACbenzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate
SMILESNC1CC1C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c17-15-9-14(15)13-7-4-8-18(10-13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,17H2
InChIKeyKCYYIRSGAMLIHY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.38
Rot. Bonds3

About benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate

benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate (PubChem CID 130138209) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate
PubChem CID130138209
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate
SMILESNC1CC1C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c17-15-9-14(15)13-7-4-8-18(10-13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,17H2
InChIKeyKCYYIRSGAMLIHY-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
2-(2-phenylmethoxycarbonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)acetic acid
CID 167723393
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-nitropiperidine-1-carboxylate
CID 91667105
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate (CID 130138209) is benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate is NC1CC1C1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate?
The InChIKey is KCYYIRSGAMLIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-15-9-14(15)13-7-4-8-18(10-13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,17H2.
What are the key properties of benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate?
benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 130138209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).