ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate

C17H26N2O3 — CID 67914576

IUPACethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](NC(C)c2ccccc2)[C@H](OC)C1
InChIInChI=1S/C17H26N2O3/c1-4-22-17(20)19-11-10-15(16(12-19)21-3)18-13(2)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3/t13?,15-,16+/m0/s1
InChIKeyHHGWCCKSZBPIKL-PXWJKWRZSA-N
MW306.41 g/mol
LogP2.58
Rot. Bonds5

About ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate

ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate (PubChem CID 67914576) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
PubChem CID67914576
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](NC(C)c2ccccc2)[C@H](OC)C1
InChIInChI=1S/C17H26N2O3/c1-4-22-17(20)19-11-10-15(16(12-19)21-3)18-13(2)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3/t13?,15-,16+/m0/s1
InChIKeyHHGWCCKSZBPIKL-PXWJKWRZSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(3S,4R)-3-methoxy-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carbonyl] butanedioate
CID 135283675
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
CID 22877802
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
CID 95328331
1-O-tert-butyl 3-O-methyl (3R,4S)-4-[[(1S)-1-phenylethyl]amino]piperidine-1,3-dicarboxylate
CID 58745527
ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 58066140
3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
CID 170313821
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[[(1S)-1-phenylethyl]amino]piperidine-4-carboxylic acid
CID 118136318
benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
CID 140558127

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate (CID 67914576) is ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate is CCOC(=O)N1CC[C@H](NC(C)c2ccccc2)[C@H](OC)C1.
What is the InChIKey of ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate?
The InChIKey is HHGWCCKSZBPIKL-PXWJKWRZSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-22-17(20)19-11-10-15(16(12-19)21-3)18-13(2)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3/t13?,15-,16+/m0/s1.
What are the key properties of ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate?
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 67914576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).