1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol

C29H32N2O — CID 10048012

IUPAC1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol
SMILESCCn1c2ccccc2c2ccc(CN3CCC4(CC3)c3ccccc3CCC4O)cc21
InChIInChI=1S/C29H32N2O/c1-2-31-26-10-6-4-8-23(26)24-13-11-21(19-27(24)31)20-30-17-15-29(16-18-30)25-9-5-3-7-22(25)12-14-28(29)32/h3-11,13,19,28,32H,2,12,14-18,20H2,1H3
InChIKeyPDYCAASPWMTXKD-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.66
Rot. Bonds3

About 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol

1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol (PubChem CID 10048012) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol.

Molecular Properties

Compound Name1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol
PubChem CID10048012
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol
SMILESCCn1c2ccccc2c2ccc(CN3CCC4(CC3)c3ccccc3CCC4O)cc21
InChIInChI=1S/C29H32N2O/c1-2-31-26-10-6-4-8-23(26)24-13-11-21(19-27(24)31)20-30-17-15-29(16-18-30)25-9-5-3-7-22(25)12-14-28(29)32/h3-11,13,19,28,32H,2,12,14-18,20H2,1H3
InChIKeyPDYCAASPWMTXKD-UHFFFAOYSA-N
XLogP5.66
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol?
The IUPAC name of 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol (CID 10048012) is 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol.
What is the SMILES notation for 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol?
The canonical SMILES for 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol is CCn1c2ccccc2c2ccc(CN3CCC4(CC3)c3ccccc3CCC4O)cc21.
What is the InChIKey of 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol?
The InChIKey is PDYCAASPWMTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-2-31-26-10-6-4-8-23(26)24-13-11-21(19-27(24)31)20-30-17-15-29(16-18-30)25-9-5-3-7-22(25)12-14-28(29)32/h3-11,13,19,28,32H,2,12,14-18,20H2,1H3.
What are the key properties of 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol?
1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol has a molecular weight of 424.59 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(9-ethylcarbazol-2-yl)methyl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-ol is sourced from PubChem (CID 10048012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).