9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate

C29H33N3O2 — CID 166019980

IUPAC9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate
SMILESCN(C)c1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2CCNCC2)cc1
InChIInChI=1S/C29H33N3O2/c1-31(2)22-13-11-21(12-14-22)19-32(23-15-17-30-18-16-23)29(33)34-20-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-14,23,28,30H,15-20H2,1-2H3
InChIKeyCHADHXOPCRWEPB-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.26
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate

9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate (PubChem CID 166019980) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate
PubChem CID166019980
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate
SMILESCN(C)c1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2CCNCC2)cc1
InChIInChI=1S/C29H33N3O2/c1-31(2)22-13-11-21(12-14-22)19-32(23-15-17-30-18-16-23)29(33)34-20-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-14,23,28,30H,15-20H2,1-2H3
InChIKeyCHADHXOPCRWEPB-UHFFFAOYSA-N
XLogP5.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
CID 157184389
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate
CID 139466247
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate (CID 166019980) is 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate is CN(C)c1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2CCNCC2)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate?
The InChIKey is CHADHXOPCRWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-31(2)22-13-11-21(12-14-22)19-32(23-15-17-30-18-16-23)29(33)34-20-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-14,23,28,30H,15-20H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate?
9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate has a molecular weight of 455.60 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 166019980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).