1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine

C17H28FN3 — CID 63815975

IUPAC1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C17H28FN3/c1-13(19)10-15-11-16(18)4-5-17(15)21-8-6-14(7-9-21)12-20(2)3/h4-5,11,13-14H,6-10,12,19H2,1-3H3
InChIKeyJEAQPIZJCITOBA-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine

1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine (PubChem CID 63815975) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
PubChem CID63815975
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C17H28FN3/c1-13(19)10-15-11-16(18)4-5-17(15)21-8-6-14(7-9-21)12-20(2)3/h4-5,11,13-14H,6-10,12,19H2,1-3H3
InChIKeyJEAQPIZJCITOBA-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63815512
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]propan-2-amine
CID 115562562
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-fluorophenyl]propan-2-amine
CID 107459857
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 78934565
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 107520324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine (CID 63815975) is 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1N1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine?
The InChIKey is JEAQPIZJCITOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-13(19)10-15-11-16(18)4-5-17(15)21-8-6-14(7-9-21)12-20(2)3/h4-5,11,13-14H,6-10,12,19H2,1-3H3.
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine?
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63815975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).