1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol

C12H16FNO — CID 103728801

IUPAC1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO/c1-12(15)6-7-14(9-12)8-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyUYEBZBCHORRAOV-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.78
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol

1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103728801) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID103728801
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO/c1-12(15)6-7-14(9-12)8-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyUYEBZBCHORRAOV-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-(4-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-2-one
CID 103356858
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
2-fluoro-5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 103758584
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103358276
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol (CID 103728801) is 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is UYEBZBCHORRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(15)6-7-14(9-12)8-10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol?
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 209.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).