tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate

C17H26N2O3 — CID 91478771

IUPACtert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-14(18)15(11-19)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t14-,15+/m1/s1
InChIKeyKYFYXHDCSBRYGN-CABCVRRESA-N
MW306.41 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate

tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate (PubChem CID 91478771) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
PubChem CID91478771
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-14(18)15(11-19)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t14-,15+/m1/s1
InChIKeyKYFYXHDCSBRYGN-CABCVRRESA-N
XLogP2.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
tert-butyl (3R,4R)-3-amino-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
CID 166100800
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 3-hydroxy-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 68809547
tert-butyl (3S)-3-[[(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 157039774
tert-butyl 3-[[4-(bromomethyl)phenyl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 54514912

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate (CID 91478771) is tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](OCc2ccccc2)C1.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is KYFYXHDCSBRYGN-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-14(18)15(11-19)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 91478771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).