[2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol

C17H24FNO — CID 142034257

IUPAC[2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol
SMILESCC1CC1(C)CC1CCCN1C(O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-12-10-17(12,2)11-15-4-3-9-19(15)16(20)13-5-7-14(18)8-6-13/h5-8,12,15-16,20H,3-4,9-11H2,1-2H3
InChIKeyXGULVDUTCIZSHS-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.72
Rot. Bonds4

About [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol

[2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol (PubChem CID 142034257) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol
PubChem CID142034257
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name[2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol
SMILESCC1CC1(C)CC1CCCN1C(O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-12-10-17(12,2)11-15-4-3-9-19(15)16(20)13-5-7-14(18)8-6-13/h5-8,12,15-16,20H,3-4,9-11H2,1-2H3
InChIKeyXGULVDUTCIZSHS-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol (CID 142034257) is [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol is CC1CC1(C)CC1CCCN1C(O)c1ccc(F)cc1.
What is the InChIKey of [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol?
The InChIKey is XGULVDUTCIZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-10-17(12,2)11-15-4-3-9-19(15)16(20)13-5-7-14(18)8-6-13/h5-8,12,15-16,20H,3-4,9-11H2,1-2H3.
What are the key properties of [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol?
[2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol has a molecular weight of 277.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,2-dimethylcyclopropyl)methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 142034257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).