N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine

C18H27FN2O — CID 84753324

IUPACN-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1CCCN(c2cc(CNCC3CCCO3)ccc2F)C1
InChIInChI=1S/C18H27FN2O/c1-14-4-2-8-21(13-14)18-10-15(6-7-17(18)19)11-20-12-16-5-3-9-22-16/h6-7,10,14,16,20H,2-5,8-9,11-13H2,1H3
InChIKeyYATITSVDYJXESC-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.33
Rot. Bonds5

About N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine

N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 84753324) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID84753324
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1CCCN(c2cc(CNCC3CCCO3)ccc2F)C1
InChIInChI=1S/C18H27FN2O/c1-14-4-2-8-21(13-14)18-10-15(6-7-17(18)19)11-20-12-16-5-3-9-22-16/h6-7,10,14,16,20H,2-5,8-9,11-13H2,1H3
InChIKeyYATITSVDYJXESC-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]butan-1-amine
CID 84753315
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
CID 84753353
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
2-bromo-4-[(oxolan-2-ylmethylamino)methyl]phenol
CID 60657621
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine (CID 84753324) is N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine is CC1CCCN(c2cc(CNCC3CCCO3)ccc2F)C1.
What is the InChIKey of N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is YATITSVDYJXESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-14-4-2-8-21(13-14)18-10-15(6-7-17(18)19)11-20-12-16-5-3-9-22-16/h6-7,10,14,16,20H,2-5,8-9,11-13H2,1H3.
What are the key properties of N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 306.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 84753324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).