3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane

C14H19ClN2 — CID 82023895

IUPAC3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
SMILESClc1ccc(CN2CC3CNCC(C3)C2)cc1
InChIInChI=1S/C14H19ClN2/c15-14-3-1-11(2-4-14)8-17-9-12-5-13(10-17)7-16-6-12/h1-4,12-13,16H,5-10H2
InChIKeyVJPMPFVLNVYUKX-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.38
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane

3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 82023895) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
PubChem CID82023895
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
SMILESClc1ccc(CN2CC3CNCC(C3)C2)cc1
InChIInChI=1S/C14H19ClN2/c15-14-3-1-11(2-4-14)8-17-9-12-5-13(10-17)7-16-6-12/h1-4,12-13,16H,5-10H2
InChIKeyVJPMPFVLNVYUKX-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 178122769
3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 82023869
3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
CID 130531127
3-[(4-chlorophenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexane
CID 87480861
3-benzyl-3,6-diazabicyclo[3.2.1]octane
CID 67130828
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179
5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
CID 134073320
4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 95557007
(1R,9S)-11-[(4-chlorophenyl)methyl]-5-[(dimethylamino)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 172670159
tert-butyl 2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;5-[(4-chlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 162120116
tert-butyl 7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate;3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 70153591

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane (CID 82023895) is 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane is Clc1ccc(CN2CC3CNCC(C3)C2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is VJPMPFVLNVYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-14-3-1-11(2-4-14)8-17-9-12-5-13(10-17)7-16-6-12/h1-4,12-13,16H,5-10H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane?
3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 250.77 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 82023895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).