[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium

C21H25N2O2+ — CID 7010657

IUPAC[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
SMILES[NH3+]CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H24N2O2/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14,22H2/p+1
InChIKeyKKDUEQBKFRCXSH-UHFFFAOYSA-O
MW337.44 g/mol
LogP2.89
Rot. Bonds3

About [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium

[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium (PubChem CID 7010657) has the molecular formula C21H25N2O2+ and a molecular weight of 337.44 g/mol. Its IUPAC name is [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium.

Molecular Properties

Compound Name[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
PubChem CID7010657
Molecular FormulaC21H25N2O2+
Molecular Weight337.44 g/mol
Exact Mass337.19
IUPAC Name[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
SMILES[NH3+]CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H24N2O2/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14,22H2/p+1
InChIKeyKKDUEQBKFRCXSH-UHFFFAOYSA-O
XLogP2.89
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 139393952
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
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
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293

Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium?
The IUPAC name of [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium (CID 7010657) is [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium.
What is the SMILES notation for [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium?
The canonical SMILES for [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium is [NH3+]CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium?
The InChIKey is KKDUEQBKFRCXSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N2O2/c22-13-15-9-11-23(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14,22H2/p+1.
What are the key properties of [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium?
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium has a molecular weight of 337.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium is sourced from PubChem (CID 7010657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).