2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol

C14H30FN3O — CID 175633265

IUPAC2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol
SMILESCCNCC(CC(C)F)C(O)N1CCC[C@@H](NC)C1
InChIInChI=1S/C14H30FN3O/c1-4-17-9-12(8-11(2)15)14(19)18-7-5-6-13(10-18)16-3/h11-14,16-17,19H,4-10H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyXUNBIIYKALDTIM-WCFLAILDSA-N
MW275.41 g/mol
LogP0.96
Rot. Bonds8

About 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol

2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol (PubChem CID 175633265) has the molecular formula C14H30FN3O and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol
PubChem CID175633265
Molecular FormulaC14H30FN3O
Molecular Weight275.41 g/mol
Exact Mass275.24
IUPAC Name2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol
SMILESCCNCC(CC(C)F)C(O)N1CCC[C@@H](NC)C1
InChIInChI=1S/C14H30FN3O/c1-4-17-9-12(8-11(2)15)14(19)18-7-5-6-13(10-18)16-3/h11-14,16-17,19H,4-10H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyXUNBIIYKALDTIM-WCFLAILDSA-N
XLogP0.96
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Dimethylamino)piperidin-4-YL]methanol
CID 86820533
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-ol
CID 134355599
[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
CID 134429520
[(3S)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
CID 134438311
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 43753184
4-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 61247005
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790495

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol?
The IUPAC name of 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol (CID 175633265) is 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol is CCNCC(CC(C)F)C(O)N1CCC[C@@H](NC)C1.
What is the InChIKey of 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol?
The InChIKey is XUNBIIYKALDTIM-WCFLAILDSA-N. The full InChI is InChI=1S/C14H30FN3O/c1-4-17-9-12(8-11(2)15)14(19)18-7-5-6-13(10-18)16-3/h11-14,16-17,19H,4-10H2,1-3H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol?
2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 175633265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).