azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium

C16H24N2O2Y-2 — CID 58315712

IUPACazanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cc[c-]cc1.[NH2-].[Y]
InChIInChI=1S/C16H22NO2.H2N.Y/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13;;/h5-6,9-10,14H,7-8,11-12H2,1-3H3;1H2;/q2*-1;
InChIKeyJJATWIBVLQQROA-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.66
Rot. Bonds1

About azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium

azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium (PubChem CID 58315712) has the molecular formula C16H24N2O2Y-2 and a molecular weight of 365.29 g/mol. Its IUPAC name is azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium.

Molecular Properties

Compound Nameazanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium
PubChem CID58315712
Molecular FormulaC16H24N2O2Y-2
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC Nameazanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cc[c-]cc1.[NH2-].[Y]
InChIInChI=1S/C16H22NO2.H2N.Y/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13;;/h5-6,9-10,14H,7-8,11-12H2,1-3H3;1H2;/q2*-1;
InChIKeyJJATWIBVLQQROA-UHFFFAOYSA-N
XLogP4.66
TPSA63.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
tert-butyl 3,3-difluoro-2-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidine-1-carboxylate
CID 156749688
tert-butyl 4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72998872
tert-butyl (2R)-2-[(E)-prop-1-enyl]piperidine-1-carboxylate
CID 124490920
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162399040
tert-butyl 4-[(2S)-4-(methylamino)-2-piperidin-1-ylbutyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164673220
Tert-butyl 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973120
Tert-butyl 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973123
Tert-butyl 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171974279
tert-butyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate
CID 22620180
tert-butyl (2S,6R)-2-[(E)-but-1-enyl]-6-methylpiperidine-1-carboxylate
CID 18717997

Frequently Asked Questions

What is the IUPAC name of azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium?
The IUPAC name of azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium (CID 58315712) is azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium.
What is the SMILES notation for azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium?
The canonical SMILES for azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium is CC(C)(C)OC(=O)N1CCCCC1c1cc[c-]cc1.[NH2-].[Y].
What is the InChIKey of azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium?
The InChIKey is JJATWIBVLQQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO2.H2N.Y/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13;;/h5-6,9-10,14H,7-8,11-12H2,1-3H3;1H2;/q2*-1;.
What are the key properties of azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium?
azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium has a molecular weight of 365.29 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium is sourced from PubChem (CID 58315712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).