ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate

C19H28N2O3 — CID 86769567

IUPACethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CCOC2c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-2-23-19(22)21-11-8-17(9-12-21)20-14-16-10-13-24-18(16)15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3
InChIKeySNXRIMAWHANJMO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.97
Rot. Bonds5

About ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate

ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate (PubChem CID 86769567) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate
PubChem CID86769567
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CCOC2c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-2-23-19(22)21-11-8-17(9-12-21)20-14-16-10-13-24-18(16)15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3
InChIKeySNXRIMAWHANJMO-UHFFFAOYSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-[[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]piperidine-1-carboxylate
CID 75511031
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone
CID 119622592
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 129400499
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate (CID 86769567) is ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC2CCOC2c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is SNXRIMAWHANJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-23-19(22)21-11-8-17(9-12-21)20-14-16-10-13-24-18(16)15-6-4-3-5-7-15/h3-7,16-18,20H,2,8-14H2,1H3.
What are the key properties of ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86769567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).