3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]

C18H27N — CID 79321001

IUPAC3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
SMILESCC(C)CC1CNCCC12CCc1ccccc1C2
InChIInChI=1S/C18H27N/c1-14(2)11-17-13-19-10-9-18(17)8-7-15-5-3-4-6-16(15)12-18/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyNJLXZSWOTVUAMI-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.82
Rot. Bonds2

About 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]

3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] (PubChem CID 79321001) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine].

Molecular Properties

Compound Name3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
PubChem CID79321001
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
SMILESCC(C)CC1CNCCC12CCc1ccccc1C2
InChIInChI=1S/C18H27N/c1-14(2)11-17-13-19-10-9-18(17)8-7-15-5-3-4-6-16(15)12-18/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyNJLXZSWOTVUAMI-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3'-propylspiro[1,3-dihydroindene-2,4'-piperidine]
CID 79320324
3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 79321099
9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
CID 79320901
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
3'-(4-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432560
9-methyl-5-(2-methylpropyl)-3,9-diazaspiro[5.6]dodecane
CID 79320211
3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79433874
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482
5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane
CID 107430646
3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 170056384
4,4-dimethyl-10-(2-methylpropyl)-8-azaspiro[4.5]decane
CID 79863112

Frequently Asked Questions

What is the IUPAC name of 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The IUPAC name of 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] (CID 79321001) is 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine].
What is the SMILES notation for 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The canonical SMILES for 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] is CC(C)CC1CNCCC12CCc1ccccc1C2.
What is the InChIKey of 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The InChIKey is NJLXZSWOTVUAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(2)11-17-13-19-10-9-18(17)8-7-15-5-3-4-6-16(15)12-18/h3-6,14,17,19H,7-13H2,1-2H3.
What are the key properties of 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] has a molecular weight of 257.42 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] is sourced from PubChem (CID 79321001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).