[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol

C18H25F3N2O3 — CID 133131528

IUPAC[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H25F3N2O3/c19-18(20,21)26-17-3-1-14(2-4-17)9-23-11-15(16(12-23)13-24)10-22-5-7-25-8-6-22/h1-4,15-16,24H,5-13H2/t15-,16-/m0/s1
InChIKeyNTFWRVMWINKCIP-HOTGVXAUSA-N
MW374.40 g/mol
LogP1.96
Rot. Bonds6

About [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol

[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 133131528) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID133131528
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H25F3N2O3/c19-18(20,21)26-17-3-1-14(2-4-17)9-23-11-15(16(12-23)13-24)10-22-5-7-25-8-6-22/h1-4,15-16,24H,5-13H2/t15-,16-/m0/s1
InChIKeyNTFWRVMWINKCIP-HOTGVXAUSA-N
XLogP1.96
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70716912
[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133122079
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111033518
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597788
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
[(3R,4S)-1-(2,2-diphenylethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70724913
[(3S,4S)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124802
3-[[4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927636
3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 56506045
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol (CID 133131528) is [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CN1CCOCC1.
What is the InChIKey of [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is NTFWRVMWINKCIP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c19-18(20,21)26-17-3-1-14(2-4-17)9-23-11-15(16(12-23)13-24)10-22-5-7-25-8-6-22/h1-4,15-16,24H,5-13H2/t15-,16-/m0/s1.
What are the key properties of [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol?
[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 374.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 133131528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).