benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate

C14H18FNO3 — CID 90183749

IUPACbenzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
SMILESC[C@@]1(O)CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C14H18FNO3/c1-14(18)7-8-16(9-12(14)15)13(17)19-10-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3/t12-,14-/m1/s1
InChIKeySNHPCHKVLAYMAK-TZMCWYRMSA-N
MW267.30 g/mol
LogP2.12
Rot. Bonds2

About benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate

benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate (PubChem CID 90183749) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
PubChem CID90183749
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namebenzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
SMILESC[C@@]1(O)CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C14H18FNO3/c1-14(18)7-8-16(9-12(14)15)13(17)19-10-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3/t12-,14-/m1/s1
InChIKeySNHPCHKVLAYMAK-TZMCWYRMSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate
CID 90183765
benzyl (3S,4R)-4-(aminomethyl)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 125117327
benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90177792
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl (3S,4S)-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 101067345
benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CID 102421396
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 4-hydroxy-3-phenylmethoxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 121378621
benzyl (3S,4R)-4-hydroxy-4-methyl-3-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622775
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate (CID 90183749) is benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate is C[C@@]1(O)CCN(C(=O)OCc2ccccc2)C[C@H]1F.
What is the InChIKey of benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate?
The InChIKey is SNHPCHKVLAYMAK-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(18)7-8-16(9-12(14)15)13(17)19-10-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate?
benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate has a molecular weight of 267.30 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,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 90183749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).