9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate

C20H19F2NO3 — CID 164874331

IUPAC9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC(O)CC(F)(F)C1
InChIInChI=1S/C20H19F2NO3/c21-20(22)9-13(24)10-23(12-20)19(25)26-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,24H,9-12H2
InChIKeyJNNSNODDEHQVPT-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.64
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate

9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate (PubChem CID 164874331) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
PubChem CID164874331
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC(O)CC(F)(F)C1
InChIInChI=1S/C20H19F2NO3/c21-20(22)9-13(24)10-23(12-20)19(25)26-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,24H,9-12H2
InChIKeyJNNSNODDEHQVPT-UHFFFAOYSA-N
XLogP3.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid
CID 2736490
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
CID 983042
D-Fmoc-pipecolic acid
CID 6958378
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)acetic acid
CID 978354
9H-fluoren-9-ylmethyl 4-hydroxypiperidine-1-carboxylate
CID 1502083
2-((3S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidin-3-yl)acetic acid
CID 1512559
3-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 2756122
1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
CID 3790985
(R)-(-)-1-Fmoc-3-pyrrolidinol
CID 16217954
(S)-(+)-1-Fmoc-3-pyrrolidinol
CID 16217955
4-(1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 17040157
1-(9H-Fluoren-9-ylmethyl) 4-methyl-1,4-piperidinedicarboxylate
CID 19361801

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate (CID 164874331) is 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CC(O)CC(F)(F)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate?
The InChIKey is JNNSNODDEHQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c21-20(22)9-13(24)10-23(12-20)19(25)26-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,24H,9-12H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate has a molecular weight of 359.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 164874331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).