1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium

C16H25NOY-2 — CID 147378210

IUPAC1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium
SMILESCC(C)(C)N1CCC(O)(c2[c-]cccc2)CC1.[CH3-].[Y]
InChIInChI=1S/C15H22NO.CH3.Y/c1-14(2,3)16-11-9-15(17,10-12-16)13-7-5-4-6-8-13;;/h4-7,17H,9-12H2,1-3H3;1H3;/q2*-1;
InChIKeyIMRSKLBPMRJAMW-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.02
Rot. Bonds1

About 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium

1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium (PubChem CID 147378210) has the molecular formula C16H25NOY-2 and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium.

Molecular Properties

Compound Name1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium
PubChem CID147378210
Molecular FormulaC16H25NOY-2
Molecular Weight336.29 g/mol
Exact Mass336.10
IUPAC Name1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium
SMILESCC(C)(C)N1CCC(O)(c2[c-]cccc2)CC1.[CH3-].[Y]
InChIInChI=1S/C15H22NO.CH3.Y/c1-14(2,3)16-11-9-15(17,10-12-16)13-7-5-4-6-8-13;;/h4-7,17H,9-12H2,1-3H3;1H3;/q2*-1;
InChIKeyIMRSKLBPMRJAMW-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-(2,2-Dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol
CID 68745676
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
1-[(E)-but-2-en-2-yl]-4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 89073947
2,4-Dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol
CID 91245022
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335
4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-ol
CID 118327377
4-Cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol
CID 123561838
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium?
The IUPAC name of 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium (CID 147378210) is 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium.
What is the SMILES notation for 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium?
The canonical SMILES for 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium is CC(C)(C)N1CCC(O)(c2[c-]cccc2)CC1.[CH3-].[Y].
What is the InChIKey of 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium?
The InChIKey is IMRSKLBPMRJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO.CH3.Y/c1-14(2,3)16-11-9-15(17,10-12-16)13-7-5-4-6-8-13;;/h4-7,17H,9-12H2,1-3H3;1H3;/q2*-1;.
What are the key properties of 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium?
1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium has a molecular weight of 336.29 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium is sourced from PubChem (CID 147378210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).