carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium

C14H18F3NOY-2 — CID 166108118

IUPACcarbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
SMILESCOc1cc(C(F)(F)F)[c-]cc1C1CCCNC1.[CH3-].[Y]
InChIInChI=1S/C13H15F3NO.CH3.Y/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9;;/h5,7,9,17H,2-3,6,8H2,1H3;1H3;/q2*-1;
InChIKeyRHMONZVFOFFYCE-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.43
Rot. Bonds2

About carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium

carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium (PubChem CID 166108118) has the molecular formula C14H18F3NOY-2 and a molecular weight of 362.20 g/mol. Its IUPAC name is carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium.

Molecular Properties

Compound Namecarbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
PubChem CID166108118
Molecular FormulaC14H18F3NOY-2
Molecular Weight362.20 g/mol
Exact Mass362.04
IUPAC Namecarbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
SMILESCOc1cc(C(F)(F)F)[c-]cc1C1CCCNC1.[CH3-].[Y]
InChIInChI=1S/C13H15F3NO.CH3.Y/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9;;/h5,7,9,17H,2-3,6,8H2,1H3;1H3;/q2*-1;
InChIKeyRHMONZVFOFFYCE-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.43
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-(3-Fluoro-2-methoxycyclohexa-1,3-dien-1-yl)piperidine
CID 144378250
N,2-dimethyl-3-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]butan-1-amine
CID 156864377
carbanide;(3S)-3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium
CID 166108122
Carbanide;ethane;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;methylsulfanylmethane;yttrium
CID 166108141
3-(3,4-difluoro-2-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine
CID 144378262
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
CID 143617057
4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
CID 143792072
3-(3,4-difluoro-2-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;ethane
CID 144378261
7-Methoxy-6-methyl-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 146371502
8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline
CID 171061793

Frequently Asked Questions

What is the IUPAC name of carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium?
The IUPAC name of carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium (CID 166108118) is carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium.
What is the SMILES notation for carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium?
The canonical SMILES for carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium is COc1cc(C(F)(F)F)[c-]cc1C1CCCNC1.[CH3-].[Y].
What is the InChIKey of carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium?
The InChIKey is RHMONZVFOFFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3NO.CH3.Y/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9;;/h5,7,9,17H,2-3,6,8H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium?
carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium has a molecular weight of 362.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-[2-methoxy-4-(trifluoromethyl)benzene-5-id-1-yl]piperidine;yttrium is sourced from PubChem (CID 166108118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).