3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane

C25H34N2O — CID 73009617

IUPAC3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2cc(CN3CC4C(COCCCN5CCCCC5)C4C3)ccc2c1
InChIInChI=1S/C25H34N2O/c1-4-11-26(12-5-1)13-6-14-28-19-25-23-17-27(18-24(23)25)16-20-9-10-21-7-2-3-8-22(21)15-20/h2-3,7-10,15,23-25H,1,4-6,11-14,16-19H2
InChIKeyCARNAKVZLXSCHL-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.41
Rot. Bonds8

About 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane

3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 73009617) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID73009617
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2cc(CN3CC4C(COCCCN5CCCCC5)C4C3)ccc2c1
InChIInChI=1S/C25H34N2O/c1-4-11-26(12-5-1)13-6-14-28-19-25-23-17-27(18-24(23)25)16-20-9-10-21-7-2-3-8-22(21)15-20/h2-3,7-10,15,23-25H,1,4-6,11-14,16-19H2
InChIKeyCARNAKVZLXSCHL-UHFFFAOYSA-N
XLogP4.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-3-[(4-chlorophenyl)methyl]-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 11631928
5-[[(1S,5R)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]benzene-1,3-diol
CID 11530588
3-(1,3-benzodioxol-4-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 73009584
1-(naphthalen-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 59382224
[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 165434097
2-[(4-methoxyphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69469175
2-benzyl-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69466097
2-[(3-methoxyphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69466346
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 73009617) is 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane is c1ccc2cc(CN3CC4C(COCCCN5CCCCC5)C4C3)ccc2c1.
What is the InChIKey of 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is CARNAKVZLXSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-4-11-26(12-5-1)13-6-14-28-19-25-23-17-27(18-24(23)25)16-20-9-10-21-7-2-3-8-22(21)15-20/h2-3,7-10,15,23-25H,1,4-6,11-14,16-19H2.
What are the key properties of 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane?
3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 378.56 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethyl)-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 73009617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).