4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine

C27H34N2O — CID 13179597

IUPAC4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine
SMILESC1=C(CN2CCC(Cc3ccccc3)CC2)CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C27H34N2O/c1-2-4-22(5-3-1)18-23-10-12-28(13-11-23)21-24-6-7-26-20-27(9-8-25(26)19-24)29-14-16-30-17-15-29/h1-5,8-9,19-20,23H,6-7,10-18,21H2
InChIKeyLCUQLDSJXUMLGN-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.81
Rot. Bonds5

About 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine

4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine (PubChem CID 13179597) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine
PubChem CID13179597
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine
SMILESC1=C(CN2CCC(Cc3ccccc3)CC2)CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C27H34N2O/c1-2-4-22(5-3-1)18-23-10-12-28(13-11-23)21-24-6-7-26-20-27(9-8-25(26)19-24)29-14-16-30-17-15-29/h1-5,8-9,19-20,23H,6-7,10-18,21H2
InChIKeyLCUQLDSJXUMLGN-UHFFFAOYSA-N
XLogP4.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[6-(piperidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]morpholine
CID 13179595
1-(3,4-dihydronaphthalen-2-ylmethyl)piperidine-4-carboxylic acid
CID 142898403
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
4-benzyl-7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 25123076
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
4-(4-benzylphenyl)morpholine
CID 11514364
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine?
The IUPAC name of 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine (CID 13179597) is 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine?
The canonical SMILES for 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine is C1=C(CN2CCC(Cc3ccccc3)CC2)CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine?
The InChIKey is LCUQLDSJXUMLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-2-4-22(5-3-1)18-23-10-12-28(13-11-23)21-24-6-7-26-20-27(9-8-25(26)19-24)29-14-16-30-17-15-29/h1-5,8-9,19-20,23H,6-7,10-18,21H2.
What are the key properties of 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine?
4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine has a molecular weight of 402.58 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]morpholine is sourced from PubChem (CID 13179597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).