carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride

C18H37Cl3NTi-3 — CID 162293489

IUPACcarbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride
SMILESC1CCCC1.CN1CCC(C2CCCC2)CC1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-]
InChIInChI=1S/C11H21N.C5H10.2CH3.3ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-2-4-5-3-1;;;;;;/h10-11H,2-9H2,1H3;1-5H2;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3
InChIKeyYVQUGKUHRGGYHF-UHFFFAOYSA-K
MW421.73 g/mol
LogP3.75
Rot. Bonds1

About carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride

carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride (PubChem CID 162293489) has the molecular formula C18H37Cl3NTi-3 and a molecular weight of 421.73 g/mol. Its IUPAC name is carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride.

Molecular Properties

Compound Namecarbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride
PubChem CID162293489
Molecular FormulaC18H37Cl3NTi-3
Molecular Weight421.73 g/mol
Exact Mass420.15
IUPAC Namecarbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride
SMILESC1CCCC1.CN1CCC(C2CCCC2)CC1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-]
InChIInChI=1S/C11H21N.C5H10.2CH3.3ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-2-4-5-3-1;;;;;;/h10-11H,2-9H2,1H3;1-5H2;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3
InChIKeyYVQUGKUHRGGYHF-UHFFFAOYSA-K
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride
CID 162293488
Carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride
CID 162302406
4-(1-Cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine
CID 170275881
1-(1,1-Dicyclopentylpentyl)-2-ethylpiperidine
CID 175508261
4-Cyclopentyl-1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperidine;2,2,3,3-tetramethylbutane
CID 176691678
1-Butyl-4-(1-methylcyclopentyl)piperidine;ethane
CID 177203616
CID 9803501
CID 9803501
CID 9931256
CID 9931256
CID 10028520
CID 10028520
CID 10089957
CID 10089957
CID 10362089
CID 10362089
CID 10389280
CID 10389280

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride?
The IUPAC name of carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride (CID 162293489) is carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride.
What is the SMILES notation for carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride?
The canonical SMILES for carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride is C1CCCC1.CN1CCC(C2CCCC2)CC1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-].
What is the InChIKey of carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride?
The InChIKey is YVQUGKUHRGGYHF-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H21N.C5H10.2CH3.3ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-2-4-5-3-1;;;;;;/h10-11H,2-9H2,1H3;1-5H2;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3.
What are the key properties of carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride?
carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride has a molecular weight of 421.73 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride is sourced from PubChem (CID 162293489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).