9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate

C26H26N4O2 — CID 122205051

IUPAC9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate
SMILESO=C(NC1CCN(/N=N/c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N4O2/c31-26(27-19-14-16-30(17-15-19)29-28-20-8-2-1-3-9-20)32-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,19,25H,14-18H2,(H,27,31)/b29-28+
InChIKeyPRCJEHSBNMXDLW-ZQHSETAFSA-N
MW426.52 g/mol
LogP5.69
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate (PubChem CID 122205051) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate
PubChem CID122205051
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate
SMILESO=C(NC1CCN(/N=N/c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N4O2/c31-26(27-19-14-16-30(17-15-19)29-28-20-8-2-1-3-9-20)32-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,19,25H,14-18H2,(H,27,31)/b29-28+
InChIKeyPRCJEHSBNMXDLW-ZQHSETAFSA-N
XLogP5.69
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 131423946
9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate
CID 71079728
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
CID 86643648
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
CID 165466142
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]benzoic acid
CID 125422013
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-propanoylpyrrolidine-2-carboxylic acid
CID 67596403
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate (CID 122205051) is 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate is O=C(NC1CCN(/N=N/c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate?
The InChIKey is PRCJEHSBNMXDLW-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(27-19-14-16-30(17-15-19)29-28-20-8-2-1-3-9-20)32-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,19,25H,14-18H2,(H,27,31)/b29-28+.
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate has a molecular weight of 426.52 g/mol, XLogP of 5.69, 5 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-(1-phenyldiazenylpiperidin-4-yl)carbamate is sourced from PubChem (CID 122205051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).