(1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium

C17H27NOY-2 — CID 147093121

IUPAC(1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium
SMILESCC(C)(C)N1CCC(CO)(c2[c-]cccc2)CC1.[CH3-].[Y]
InChIInChI=1S/C16H24NO.CH3.Y/c1-15(2,3)17-11-9-16(13-18,10-12-17)14-7-5-4-6-8-14;;/h4-7,18H,9-13H2,1-3H3;1H3;/q2*-1;
InChIKeyZWDMNTYZSVSCDI-UHFFFAOYSA-N
MW350.31 g/mol
LogP3.06
Rot. Bonds2

About (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium

(1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium (PubChem CID 147093121) has the molecular formula C17H27NOY-2 and a molecular weight of 350.31 g/mol. Its IUPAC name is (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium.

Molecular Properties

Compound Name(1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium
PubChem CID147093121
Molecular FormulaC17H27NOY-2
Molecular Weight350.31 g/mol
Exact Mass350.12
IUPAC Name(1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium
SMILESCC(C)(C)N1CCC(CO)(c2[c-]cccc2)CC1.[CH3-].[Y]
InChIInChI=1S/C16H24NO.CH3.Y/c1-15(2,3)17-11-9-16(13-18,10-12-17)14-7-5-4-6-8-14;;/h4-7,18H,9-13H2,1-3H3;1H3;/q2*-1;
InChIKeyZWDMNTYZSVSCDI-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium?
The IUPAC name of (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium (CID 147093121) is (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium.
What is the SMILES notation for (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium?
The canonical SMILES for (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium is CC(C)(C)N1CCC(CO)(c2[c-]cccc2)CC1.[CH3-].[Y].
What is the InChIKey of (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium?
The InChIKey is ZWDMNTYZSVSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO.CH3.Y/c1-15(2,3)17-11-9-16(13-18,10-12-17)14-7-5-4-6-8-14;;/h4-7,18H,9-13H2,1-3H3;1H3;/q2*-1;.
What are the key properties of (1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium?
(1-tert-butyl-4-phenylpiperidin-4-yl)methanol;carbanide;yttrium has a molecular weight of 350.31 g/mol, XLogP of 3.06, 2 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-yl)methanol;carbanide;yttrium is sourced from PubChem (CID 147093121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).