tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate

C23H28FNO3 — CID 155162953

IUPACtert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@](O)(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FNO3/c1-22(2,3)28-21(26)25-15-13-19(14-16-25)23(27,17-7-5-4-6-8-17)18-9-11-20(24)12-10-18/h4-12,19,27H,13-16H2,1-3H3/t23-/m0/s1
InChIKeyBTHOSTMQZCKVFK-QHCPKHFHSA-N
MW385.48 g/mol
LogP4.71
Rot. Bonds3

About tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate

tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate (PubChem CID 155162953) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
PubChem CID155162953
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Nametert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@](O)(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FNO3/c1-22(2,3)28-21(26)25-15-13-19(14-16-25)23(27,17-7-5-4-6-8-17)18-9-11-20(24)12-10-18/h4-12,19,27H,13-16H2,1-3H3/t23-/m0/s1
InChIKeyBTHOSTMQZCKVFK-QHCPKHFHSA-N
XLogP4.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 154634646
tert-butyl 3-(1,1-diphenylethyl)pyrrolidine-1-carboxylate
CID 174192656
tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
CID 143303337
tert-butyl 4-(1,1-difluoro-2-oxo-2-phenylethyl)piperidine-1-carboxylate
CID 155929643
[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 166228602
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 59486870
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
CID 23289906
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate (CID 155162953) is tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@](O)(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate?
The InChIKey is BTHOSTMQZCKVFK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-22(2,3)28-21(26)25-15-13-19(14-16-25)23(27,17-7-5-4-6-8-17)18-9-11-20(24)12-10-18/h4-12,19,27H,13-16H2,1-3H3/t23-/m0/s1.
What are the key properties of tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate?
tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate has a molecular weight of 385.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate is sourced from PubChem (CID 155162953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).