tert-butyl 2-phenylpiperidine-1-carboxylate

C16H23NO2 — CID 11701654

IUPACtert-butyl 2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3
InChIKeySCTHWHFWPIYEOT-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.15
Rot. Bonds1

About tert-butyl 2-phenylpiperidine-1-carboxylate

tert-butyl 2-phenylpiperidine-1-carboxylate (PubChem CID 11701654) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenylpiperidine-1-carboxylate
PubChem CID11701654
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3
InChIKeySCTHWHFWPIYEOT-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Tert-butyl 4-benzylpiperazine-1-carboxylate
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(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
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(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 10781420
Methyl 2,3-diphenylaziridinecarboxylate
CID 2832767
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
tert-butyl (2S,4S,6R)-2-benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-ethylpiperidine-1-carboxylate
CID 57963505
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
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Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-phenylpiperidine-1-carboxylate (CID 11701654) is tert-butyl 2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-phenylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1ccccc1.
What is the InChIKey of tert-butyl 2-phenylpiperidine-1-carboxylate?
The InChIKey is SCTHWHFWPIYEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3.
What are the key properties of tert-butyl 2-phenylpiperidine-1-carboxylate?
tert-butyl 2-phenylpiperidine-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 11701654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).