1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol

C19H38FN3O — CID 166682696

IUPAC1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol
SMILESCC(C)N1CC(CC(C)N2CCC(O)CC2)C[C@](F)(CN(C)C)C1
InChIInChI=1S/C19H38FN3O/c1-15(2)23-12-17(11-19(20,14-23)13-21(4)5)10-16(3)22-8-6-18(24)7-9-22/h15-18,24H,6-14H2,1-5H3/t16?,17?,19-/m0/s1
InChIKeyWFAWSAGDLLWMAU-TVPLGVNVSA-N
MW343.53 g/mol
LogP2.22
Rot. Bonds6

About 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol

1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol (PubChem CID 166682696) has the molecular formula C19H38FN3O and a molecular weight of 343.53 g/mol. Its IUPAC name is 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol
PubChem CID166682696
Molecular FormulaC19H38FN3O
Molecular Weight343.53 g/mol
Exact Mass343.30
IUPAC Name1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol
SMILESCC(C)N1CC(CC(C)N2CCC(O)CC2)C[C@](F)(CN(C)C)C1
InChIInChI=1S/C19H38FN3O/c1-15(2)23-12-17(11-19(20,14-23)13-21(4)5)10-16(3)22-8-6-18(24)7-9-22/h15-18,24H,6-14H2,1-5H3/t16?,17?,19-/m0/s1
InChIKeyWFAWSAGDLLWMAU-TVPLGVNVSA-N
XLogP2.22
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol (CID 166682696) is 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol is CC(C)N1CC(CC(C)N2CCC(O)CC2)C[C@](F)(CN(C)C)C1.
What is the InChIKey of 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol?
The InChIKey is WFAWSAGDLLWMAU-TVPLGVNVSA-N. The full InChI is InChI=1S/C19H38FN3O/c1-15(2)23-12-17(11-19(20,14-23)13-21(4)5)10-16(3)22-8-6-18(24)7-9-22/h15-18,24H,6-14H2,1-5H3/t16?,17?,19-/m0/s1.
What are the key properties of 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol?
1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol has a molecular weight of 343.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol is sourced from PubChem (CID 166682696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).