(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

C17H26N2O — CID 98295740

IUPAC(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCOc1ccc(CN2[C@H]3CCNC[C@H]2CC3)cc1
InChIInChI=1S/C17H26N2O/c1-2-11-20-17-7-3-14(4-8-17)13-19-15-5-6-16(19)12-18-10-9-15/h3-4,7-8,15-16,18H,2,5-6,9-13H2,1H3/t15-,16-/m1/s1
InChIKeySQADVNNYCKWZJX-HZPDHXFCSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

About (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 98295740) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID98295740
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCOc1ccc(CN2[C@H]3CCNC[C@H]2CC3)cc1
InChIInChI=1S/C17H26N2O/c1-2-11-20-17-7-3-14(4-8-17)13-19-15-5-6-16(19)12-18-10-9-15/h3-4,7-8,15-16,18H,2,5-6,9-13H2,1H3/t15-,16-/m1/s1
InChIKeySQADVNNYCKWZJX-HZPDHXFCSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]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

9-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843930
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
3-(4-propoxyphenoxy)piperidine
CID 53409332
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
4-methyl-5-[(4-propoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212254
(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 133117917
6-[(4-propoxyphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678584
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120966791

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (CID 98295740) is (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is CCCOc1ccc(CN2[C@H]3CCNC[C@H]2CC3)cc1.
What is the InChIKey of (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is SQADVNNYCKWZJX-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-11-20-17-7-3-14(4-8-17)13-19-15-5-6-16(19)12-18-10-9-15/h3-4,7-8,15-16,18H,2,5-6,9-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 274.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 98295740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).