9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride

C14H19ClF2N2 — CID 120966790

IUPAC9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
SMILESCl.Fc1cccc(F)c1CN1C2CCNCC1CC2
InChIInChI=1S/C14H18F2N2.ClH/c15-13-2-1-3-14(16)12(13)9-18-10-4-5-11(18)8-17-7-6-10;/h1-3,10-11,17H,4-9H2;1H
InChIKeyUJIXEDQBCJTWDG-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.71
Rot. Bonds2

About 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride

9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride (PubChem CID 120966790) has the molecular formula C14H19ClF2N2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride.

Molecular Properties

Compound Name9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
PubChem CID120966790
Molecular FormulaC14H19ClF2N2
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Name9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
SMILESCl.Fc1cccc(F)c1CN1C2CCNCC1CC2
InChIInChI=1S/C14H18F2N2.ClH/c15-13-2-1-3-14(16)12(13)9-18-10-4-5-11(18)8-17-7-6-10;/h1-3,10-11,17H,4-9H2;1H
InChIKeyUJIXEDQBCJTWDG-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120966791
9-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843894
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
CID 98049755
8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 58946811
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
CID 154900689
9-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843930
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966582
9-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843988
(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 98295740

Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
The IUPAC name of 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride (CID 120966790) is 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride.
What is the SMILES notation for 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
The canonical SMILES for 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride is Cl.Fc1cccc(F)c1CN1C2CCNCC1CC2.
What is the InChIKey of 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
The InChIKey is UJIXEDQBCJTWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2.ClH/c15-13-2-1-3-14(16)12(13)9-18-10-4-5-11(18)8-17-7-6-10;/h1-3,10-11,17H,4-9H2;1H.
What are the key properties of 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride is sourced from PubChem (CID 120966790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).