3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine

C17H28FN3 — CID 62643133

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
SMILESCN(C)CC1CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C17H28FN3/c1-20(2)13-14-6-9-21(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12,14,17H,6-11,13,19H2,1-2H3
InChIKeyWJDALXNBWGGIPR-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.49
Rot. Bonds6

About 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 62643133) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID62643133
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
SMILESCN(C)CC1CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C17H28FN3/c1-20(2)13-14-6-9-21(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12,14,17H,6-11,13,19H2,1-2H3
InChIKeyWJDALXNBWGGIPR-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine (CID 62643133) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine is CN(C)CC1CCN(CCC(N)c2cccc(F)c2)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is WJDALXNBWGGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-20(2)13-14-6-9-21(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12,14,17H,6-11,13,19H2,1-2H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62643133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).