3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride

C22H36ClN3 — CID 23619896

IUPAC3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
SMILESCl.c1ccc(CN2CC3CCCC(C2)N3CCCN2CCCCC2)cc1
InChIInChI=1S/C22H35N3.ClH/c1-3-9-20(10-4-1)17-24-18-21-11-7-12-22(19-24)25(21)16-8-15-23-13-5-2-6-14-23;/h1,3-4,9-10,21-22H,2,5-8,11-19H2;1H
InChIKeyZQMJVGPNSCEEND-UHFFFAOYSA-N
MW378.00 g/mol
LogP4.02
Rot. Bonds6

About 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride

3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride (PubChem CID 23619896) has the molecular formula C22H36ClN3 and a molecular weight of 378.00 g/mol. Its IUPAC name is 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride.

Molecular Properties

Compound Name3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
PubChem CID23619896
Molecular FormulaC22H36ClN3
Molecular Weight378.00 g/mol
Exact Mass377.26
IUPAC Name3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
SMILESCl.c1ccc(CN2CC3CCCC(C2)N3CCCN2CCCCC2)cc1
InChIInChI=1S/C22H35N3.ClH/c1-3-9-20(10-4-1)17-24-18-21-11-7-12-22(19-24)25(21)16-8-15-23-13-5-2-6-14-23;/h1,3-4,9-10,21-22H,2,5-8,11-19H2;1H
InChIKeyZQMJVGPNSCEEND-UHFFFAOYSA-N
XLogP4.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.00
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride with MolForge

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Related Compounds

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CID 10954328
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2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
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CID 173446957
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
CID 59694689
CID 59694689
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1-benzylazepan-3-yl)methanamine
CID 15718476
(3R)-1-benzylazepan-3-ol
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1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
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(1R,5S)-3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10036798

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
The IUPAC name of 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride (CID 23619896) is 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride.
What is the SMILES notation for 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
The canonical SMILES for 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride is Cl.c1ccc(CN2CC3CCCC(C2)N3CCCN2CCCCC2)cc1.
What is the InChIKey of 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
The InChIKey is ZQMJVGPNSCEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3.ClH/c1-3-9-20(10-4-1)17-24-18-21-11-7-12-22(19-24)25(21)16-8-15-23-13-5-2-6-14-23;/h1,3-4,9-10,21-22H,2,5-8,11-19H2;1H.
What are the key properties of 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride?
3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride has a molecular weight of 378.00 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride is sourced from PubChem (CID 23619896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).