bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane

C19H22BCl2NO — CID 11068441

IUPACbis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane
SMILESClc1cccc(B(OCCC2CCCCN2)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H22BCl2NO/c21-17-7-3-5-15(13-17)20(16-6-4-8-18(22)14-16)24-12-10-19-9-1-2-11-23-19/h3-8,13-14,19,23H,1-2,9-12H2
InChIKeyAREJGKBFWGJDKS-UHFFFAOYSA-N
MW362.11 g/mol
LogP3.65
Rot. Bonds6

About bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane

bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane (PubChem CID 11068441) has the molecular formula C19H22BCl2NO and a molecular weight of 362.11 g/mol. Its IUPAC name is bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane.

Molecular Properties

Compound Namebis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane
PubChem CID11068441
Molecular FormulaC19H22BCl2NO
Molecular Weight362.11 g/mol
Exact Mass361.12
IUPAC Namebis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane
SMILESClc1cccc(B(OCCC2CCCCN2)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H22BCl2NO/c21-17-7-3-5-15(13-17)20(16-6-4-8-18(22)14-16)24-12-10-19-9-1-2-11-23-19/h3-8,13-14,19,23H,1-2,9-12H2
InChIKeyAREJGKBFWGJDKS-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methyl]azepane
CID 5094056
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
CID 53408946
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871

Frequently Asked Questions

What is the IUPAC name of bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane?
The IUPAC name of bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane (CID 11068441) is bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane.
What is the SMILES notation for bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane?
The canonical SMILES for bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane is Clc1cccc(B(OCCC2CCCCN2)c2cccc(Cl)c2)c1.
What is the InChIKey of bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane?
The InChIKey is AREJGKBFWGJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BCl2NO/c21-17-7-3-5-15(13-17)20(16-6-4-8-18(22)14-16)24-12-10-19-9-1-2-11-23-19/h3-8,13-14,19,23H,1-2,9-12H2.
What are the key properties of bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane?
bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane has a molecular weight of 362.11 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorophenyl)-(2-piperidin-2-ylethoxy)borane is sourced from PubChem (CID 11068441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).