5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol

C17H28FN3O — CID 166999948

IUPAC5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C1CCN(c2ccc(N)cc2F)CC1
InChIInChI=1S/C17H28FN3O/c1-20(9-3-2-4-12-22)15-7-10-21(11-8-15)17-6-5-14(19)13-16(17)18/h5-6,13,15,22H,2-4,7-12,19H2,1H3
InChIKeyABCGDWDCFRMDHL-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.47
Rot. Bonds7

About 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol

5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol (PubChem CID 166999948) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol
PubChem CID166999948
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC Name5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C1CCN(c2ccc(N)cc2F)CC1
InChIInChI=1S/C17H28FN3O/c1-20(9-3-2-4-12-22)15-7-10-21(11-8-15)17-6-5-14(19)13-16(17)18/h5-6,13,15,22H,2-4,7-12,19H2,1H3
InChIKeyABCGDWDCFRMDHL-UHFFFAOYSA-N
XLogP2.47
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-fluorophenyl)-N-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166999975
3-[[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315452
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluoroaniline
CID 62885742
6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
3-[[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]-methylamino]propan-1-ol
CID 133315363
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
CID 170748965
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol (CID 166999948) is 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol is CN(CCCCCO)C1CCN(c2ccc(N)cc2F)CC1.
What is the InChIKey of 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol?
The InChIKey is ABCGDWDCFRMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-20(9-3-2-4-12-22)15-7-10-21(11-8-15)17-6-5-14(19)13-16(17)18/h5-6,13,15,22H,2-4,7-12,19H2,1H3.
What are the key properties of 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol?
5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol has a molecular weight of 309.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol is sourced from PubChem (CID 166999948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).