3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol

C21H24FNO — CID 71257843

IUPAC3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol
SMILESOc1cccc(C2(F)CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c1
InChIInChI=1S/C21H24FNO/c22-21(18-7-4-8-19(24)14-18)9-11-23(12-10-21)15-17-13-20(17)16-5-2-1-3-6-16/h1-8,14,17,20,24H,9-13,15H2/t17-,20-/m0/s1
InChIKeyVLMOTMYQXABBSG-PXNSSMCTSA-N
MW325.43 g/mol
LogP4.46
Rot. Bonds4

About 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol

3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol (PubChem CID 71257843) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol
PubChem CID71257843
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol
SMILESOc1cccc(C2(F)CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c1
InChIInChI=1S/C21H24FNO/c22-21(18-7-4-8-19(24)14-18)9-11-23(12-10-21)15-17-13-20(17)16-5-2-1-3-6-16/h1-8,14,17,20,24H,9-13,15H2/t17-,20-/m0/s1
InChIKeyVLMOTMYQXABBSG-PXNSSMCTSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea
CID 67422842
N-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]acetamide
CID 67422380
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
CID 154859097
3-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea
CID 67424432
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990
1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
CID 90016806
1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10761040
4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 29154047
1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613652
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
CID 59930174
(1S,5R)-5-(3-methoxyphenyl)-2-[[(1R,2S)-2-phenylcyclopropyl]methyl]-2-azabicyclo[3.3.1]nonane
CID 51002783

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol (CID 71257843) is 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol is Oc1cccc(C2(F)CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol?
The InChIKey is VLMOTMYQXABBSG-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H24FNO/c22-21(18-7-4-8-19(24)14-18)9-11-23(12-10-21)15-17-13-20(17)16-5-2-1-3-6-16/h1-8,14,17,20,24H,9-13,15H2/t17-,20-/m0/s1.
What are the key properties of 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol?
3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol has a molecular weight of 325.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 71257843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).