ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate

C18H26N2O2 — CID 97056265

IUPACethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-2-22-18(21)20-10-8-16(9-11-20)19-13-15-12-17(15)14-6-4-3-5-7-14/h3-7,15-17,19H,2,8-13H2,1H3/t15-,17+/m1/s1
InChIKeyXPDJYFXWBKJJAK-WBVHZDCISA-N
MW302.42 g/mol
LogP3.00
Rot. Bonds5

About ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate

ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate (PubChem CID 97056265) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
PubChem CID97056265
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nameethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-2-22-18(21)20-10-8-16(9-11-20)19-13-15-12-17(15)14-6-4-3-5-7-14/h3-7,15-17,19H,2,8-13H2,1H3/t15-,17+/m1/s1
InChIKeyXPDJYFXWBKJJAK-WBVHZDCISA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate
CID 86769567
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
ethyl 4-[[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]piperidine-1-carboxylate
CID 75511031
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
CID 50964250
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate (CID 97056265) is ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC[C@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate?
The InChIKey is XPDJYFXWBKJJAK-WBVHZDCISA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-22-18(21)20-10-8-16(9-11-20)19-13-15-12-17(15)14-6-4-3-5-7-14/h3-7,15-17,19H,2,8-13H2,1H3/t15-,17+/m1/s1.
What are the key properties of ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate?
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 97056265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).