[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium

C19H36N2OY-2 — CID 162471915

IUPAC[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium
SMILESCC(C)(C)N1CCC(C2CCN([C-]=O)CC2)CC1.C[C-](C)C.[Y]
InChIInChI=1S/C15H27N2O.C4H9.Y/c1-15(2,3)17-10-6-14(7-11-17)13-4-8-16(12-18)9-5-13;1-4(2)3;/h13-14H,4-11H2,1-3H3;1-3H3;/q2*-1;
InChIKeyNSWXTMWWINNDBA-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.89
Rot. Bonds2

About [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium

[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium (PubChem CID 162471915) has the molecular formula C19H36N2OY-2 and a molecular weight of 397.42 g/mol. Its IUPAC name is [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium.

Molecular Properties

Compound Name[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium
PubChem CID162471915
Molecular FormulaC19H36N2OY-2
Molecular Weight397.42 g/mol
Exact Mass397.19
IUPAC Name[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium
SMILESCC(C)(C)N1CCC(C2CCN([C-]=O)CC2)CC1.C[C-](C)C.[Y]
InChIInChI=1S/C15H27N2O.C4H9.Y/c1-15(2,3)17-10-6-14(7-11-17)13-4-8-16(12-18)9-5-13;1-4(2)3;/h13-14H,4-11H2,1-3H3;1-3H3;/q2*-1;
InChIKeyNSWXTMWWINNDBA-UHFFFAOYSA-N
XLogP3.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.89
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

4-[1-(4-Methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
CID 176968506
1-Tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine
CID 21049126
4-(1-Tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid
CID 68668509
1-tert-butyl-3-methyl-4-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine
CID 138580952
1-[4-[4-(4-Tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone
CID 139501444
N-[6-[formyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]hexyl]-N-(1,2,2,3-tetramethylpiperidin-4-yl)formamide
CID 143193564
1-Tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine
CID 146549058
Ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
CID 156718698
Ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 156836866
Ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 156836992
CID 157196405
CID 157196405
Methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 158224419

Frequently Asked Questions

What is the IUPAC name of [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium?
The IUPAC name of [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium (CID 162471915) is [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium.
What is the SMILES notation for [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium?
The canonical SMILES for [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium is CC(C)(C)N1CCC(C2CCN([C-]=O)CC2)CC1.C[C-](C)C.[Y].
What is the InChIKey of [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium?
The InChIKey is NSWXTMWWINNDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O.C4H9.Y/c1-15(2,3)17-10-6-14(7-11-17)13-4-8-16(12-18)9-5-13;1-4(2)3;/h13-14H,4-11H2,1-3H3;1-3H3;/q2*-1;.
What are the key properties of [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium?
[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium has a molecular weight of 397.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium is sourced from PubChem (CID 162471915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).