[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

C28H28FNO3 — CID 166228602

IUPAC[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)C1(Oc2ccccc2F)CC1
InChIInChI=1S/C28H28FNO3/c29-24-13-7-8-14-25(24)33-27(17-18-27)26(31)30-19-15-23(16-20-30)28(32,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,32H,15-20H2
InChIKeyMUMNUZDHKMNEBZ-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.91
Rot. Bonds6

About [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone

[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 166228602) has the molecular formula C28H28FNO3 and a molecular weight of 445.53 g/mol. Its IUPAC name is [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
PubChem CID166228602
Molecular FormulaC28H28FNO3
Molecular Weight445.53 g/mol
Exact Mass445.21
IUPAC Name[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)C1(Oc2ccccc2F)CC1
InChIInChI=1S/C28H28FNO3/c29-24-13-7-8-14-25(24)33-27(17-18-27)26(31)30-19-15-23(16-20-30)28(32,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,32H,15-20H2
InChIKeyMUMNUZDHKMNEBZ-UHFFFAOYSA-N
XLogP4.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 155162953
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56894387
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
benzyl 4-[bis(4-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 45104644
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 122107222

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone (CID 166228602) is [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is O=C(N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)C1(Oc2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is MUMNUZDHKMNEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNO3/c29-24-13-7-8-14-25(24)33-27(17-18-27)26(31)30-19-15-23(16-20-30)28(32,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,32H,15-20H2.
What are the key properties of [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone?
[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 445.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166228602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).