4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)

C15H22NOY+2 — CID 21036652

IUPAC4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)
SMILESCc1ccc(OCC2CC[N-]CC2)c(C)c1C.[Y+3]
InChIInChI=1S/C15H22NO.Y/c1-11-4-5-15(13(3)12(11)2)17-10-14-6-8-16-9-7-14;/h4-5,14H,6-10H2,1-3H3;/q-1;+3
InChIKeyCZTZZGPNZHRYLB-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.77
Rot. Bonds3

About 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)

4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+) (PubChem CID 21036652) has the molecular formula C15H22NOY+2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+).

Molecular Properties

Compound Name4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)
PubChem CID21036652
Molecular FormulaC15H22NOY+2
Molecular Weight321.25 g/mol
Exact Mass321.07
IUPAC Name4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)
SMILESCc1ccc(OCC2CC[N-]CC2)c(C)c1C.[Y+3]
InChIInChI=1S/C15H22NO.Y/c1-11-4-5-15(13(3)12(11)2)17-10-14-6-8-16-9-7-14;/h4-5,14H,6-10H2,1-3H3;/q-1;+3
InChIKeyCZTZZGPNZHRYLB-UHFFFAOYSA-N
XLogP3.77
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
1-[3-[(2,3,4-trimethylphenoxy)methyl]cyclobutyl]oxyethenamine
CID 138514194
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1,1-dimethylcyclopropane;2,3-dimethyl-6-[[4-(4-sulfanylcyclohexyl)cyclohexyl]methoxy]phenol;ethane
CID 143639276
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethanol
CID 117314647
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)?
The IUPAC name of 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+) (CID 21036652) is 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+).
What is the SMILES notation for 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)?
The canonical SMILES for 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+) is Cc1ccc(OCC2CC[N-]CC2)c(C)c1C.[Y+3].
What is the InChIKey of 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)?
The InChIKey is CZTZZGPNZHRYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO.Y/c1-11-4-5-15(13(3)12(11)2)17-10-14-6-8-16-9-7-14;/h4-5,14H,6-10H2,1-3H3;/q-1;+3.
What are the key properties of 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+)?
4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+) has a molecular weight of 321.25 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4-trimethylphenoxy)methyl]piperidin-1-ide;yttrium(3+) is sourced from PubChem (CID 21036652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).