benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride

C13H18ClFN2O2 — CID 129320025

IUPACbenzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C13H17FN2O2.ClH/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,15H2;1H/t11-,12+;/m1./s1
InChIKeyCVDZOJLGFLYIMX-LYCTWNKOSA-N
MW288.75 g/mol
LogP2.12
Rot. Bonds2

About benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride

benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride (PubChem CID 129320025) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
PubChem CID129320025
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Namebenzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
SMILESCl.N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C13H17FN2O2.ClH/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,15H2;1H/t11-,12+;/m1./s1
InChIKeyCVDZOJLGFLYIMX-LYCTWNKOSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
benzyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
CID 71262078
benzyl 3-fluoro-4-iodopiperidine-1-carboxylate
CID 166077335
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
CID 124547561
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride (CID 129320025) is benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride is Cl.N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F.
What is the InChIKey of benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride?
The InChIKey is CVDZOJLGFLYIMX-LYCTWNKOSA-N. The full InChI is InChI=1S/C13H17FN2O2.ClH/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10;/h1-5,11-12H,6-9,15H2;1H/t11-,12+;/m1./s1.
What are the key properties of benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride?
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride has a molecular weight of 288.75 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 129320025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).