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

C19H29N — CID 130371229

IUPAC(1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
SMILESCC(C)C[C@H]1CC2(CCN(C)CC2)Cc2ccccc21
InChIInChI=1S/C19H29N/c1-15(2)12-17-14-19(8-10-20(3)11-9-19)13-16-6-4-5-7-18(16)17/h4-7,15,17H,8-14H2,1-3H3/t17-/m0/s1
InChIKeyIJNGZUWVPKXIOY-KRWDZBQOSA-N
MW271.45 g/mol
LogP4.47
Rot. Bonds2

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

(1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] (PubChem CID 130371229) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine].

Molecular Properties

Compound Name(1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
PubChem CID130371229
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
SMILESCC(C)C[C@H]1CC2(CCN(C)CC2)Cc2ccccc21
InChIInChI=1S/C19H29N/c1-15(2)12-17-14-19(8-10-20(3)11-9-19)13-16-6-4-5-7-18(16)17/h4-7,15,17H,8-14H2,1-3H3/t17-/m0/s1
InChIKeyIJNGZUWVPKXIOY-KRWDZBQOSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The IUPAC name of (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] (CID 130371229) is (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine].
What is the SMILES notation for (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The canonical SMILES for (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] is CC(C)C[C@H]1CC2(CCN(C)CC2)Cc2ccccc21.
What is the InChIKey of (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
The InChIKey is IJNGZUWVPKXIOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N/c1-15(2)12-17-14-19(8-10-20(3)11-9-19)13-16-6-4-5-7-18(16)17/h4-7,15,17H,8-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]?
(1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] has a molecular weight of 271.45 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-methyl-1-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine] is sourced from PubChem (CID 130371229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).