6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]

C28H33NO — CID 57032922

IUPAC6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]
SMILESCCC(OCC1=Cc2ccccc2CC1)c1ccc2c(c1)C=CC1(CCCCN1)C2
InChIInChI=1S/C28H33NO/c1-2-27(30-20-21-9-10-22-7-3-4-8-23(22)17-21)25-11-12-26-19-28(14-5-6-16-29-28)15-13-24(26)18-25/h3-4,7-8,11-13,15,17-18,27,29H,2,5-6,9-10,14,16,19-20H2,1H3
InChIKeyRSSJFGHXJLSRHN-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.27
Rot. Bonds5

About 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]

6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine] (PubChem CID 57032922) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine].

Molecular Properties

Compound Name6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]
PubChem CID57032922
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC Name6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]
SMILESCCC(OCC1=Cc2ccccc2CC1)c1ccc2c(c1)C=CC1(CCCCN1)C2
InChIInChI=1S/C28H33NO/c1-2-27(30-20-21-9-10-22-7-3-4-8-23(22)17-21)25-11-12-26-19-28(14-5-6-16-29-28)15-13-24(26)18-25/h3-4,7-8,11-13,15,17-18,27,29H,2,5-6,9-10,14,16,19-20H2,1H3
InChIKeyRSSJFGHXJLSRHN-UHFFFAOYSA-N
XLogP6.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine] with MolForge

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Related Compounds

Litoxetine
CID 65650
4-(3-tert-Butyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10499624
4-(3-tert-Butyl-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10834119
4-(3,5-Dimethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10063954
2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylethanamine
CID 11824300
(3R,4R)-4-[4-(3-Benzyloxy-propoxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine
CID 44278947
N-methyl-2-[4-[(2-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
CID 134146985
2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine
CID 134149335
N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
CID 134153978
N-methyl-2-[4-[(4-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
CID 134155520
(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(2-fluoroethyl)spiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-amine
CID 145953291
2-[(3R)-4'-[(2,4-dimethylphenyl)methylamino]spiro[3,4-dihydroisochromene-1,1'-cyclohexane]-3-yl]ethanol
CID 145958300

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]?
The IUPAC name of 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine] (CID 57032922) is 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine].
What is the SMILES notation for 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]?
The canonical SMILES for 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine] is CCC(OCC1=Cc2ccccc2CC1)c1ccc2c(c1)C=CC1(CCCCN1)C2.
What is the InChIKey of 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]?
The InChIKey is RSSJFGHXJLSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c1-2-27(30-20-21-9-10-22-7-3-4-8-23(22)17-21)25-11-12-26-19-28(14-5-6-16-29-28)15-13-24(26)18-25/h3-4,7-8,11-13,15,17-18,27,29H,2,5-6,9-10,14,16,19-20H2,1H3.
What are the key properties of 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine]?
6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine] has a molecular weight of 399.58 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-dihydronaphthalen-2-ylmethoxy)propyl]spiro[1H-naphthalene-2,2'-piperidine] is sourced from PubChem (CID 57032922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).