9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate

C29H38N2O2 — CID 139393952

IUPAC9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
SMILESCN1CCC(CCCC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C29H38N2O2/c1-30-17-13-22(14-18-30)7-6-8-23-15-19-31(20-16-23)29(32)33-21-28-26-11-4-2-9-24(26)25-10-3-5-12-27(25)28/h2-5,9-12,22-23,28H,6-8,13-21H2,1H3
InChIKeyJBEJQDITHNCTOA-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.16
Rot. Bonds6

About 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate (PubChem CID 139393952) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
PubChem CID139393952
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
SMILESCN1CCC(CCCC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C29H38N2O2/c1-30-17-13-22(14-18-30)7-6-8-23-15-19-31(20-16-23)29(32)33-21-28-26-11-4-2-9-24(26)25-10-3-5-12-27(25)28/h2-5,9-12,22-23,28H,6-8,13-21H2,1H3
InChIKeyJBEJQDITHNCTOA-UHFFFAOYSA-N
XLogP6.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 163687677
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate
CID 147927240
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate (CID 139393952) is 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate is CN1CCC(CCCC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate?
The InChIKey is JBEJQDITHNCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-30-17-13-22(14-18-30)7-6-8-23-15-19-31(20-16-23)29(32)33-21-28-26-11-4-2-9-24(26)25-10-3-5-12-27(25)28/h2-5,9-12,22-23,28H,6-8,13-21H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate has a molecular weight of 446.64 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 139393952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).