1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol

C14H29FN2O2 — CID 71080624

IUPAC1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
SMILESCCC(O)NCCC[C@@H](CF)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H29FN2O2/c1-4-14(18)16-7-5-6-13(8-15)17-9-11(2)19-12(3)10-17/h11-14,16,18H,4-10H2,1-3H3/t11-,12+,13-,14?/m0/s1
InChIKeyIFHVKRICZOCIKC-WJLOJVBCSA-N
MW276.40 g/mol
LogP1.53
Rot. Bonds8

About 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol

1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol (PubChem CID 71080624) has the molecular formula C14H29FN2O2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
PubChem CID71080624
Molecular FormulaC14H29FN2O2
Molecular Weight276.40 g/mol
Exact Mass276.22
IUPAC Name1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
SMILESCCC(O)NCCC[C@@H](CF)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H29FN2O2/c1-4-14(18)16-7-5-6-13(8-15)17-9-11(2)19-12(3)10-17/h11-14,16,18H,4-10H2,1-3H3/t11-,12+,13-,14?/m0/s1
InChIKeyIFHVKRICZOCIKC-WJLOJVBCSA-N
XLogP1.53
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol?
The IUPAC name of 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol (CID 71080624) is 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol.
What is the SMILES notation for 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol?
The canonical SMILES for 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol is CCC(O)NCCC[C@@H](CF)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol?
The InChIKey is IFHVKRICZOCIKC-WJLOJVBCSA-N. The full InChI is InChI=1S/C14H29FN2O2/c1-4-14(18)16-7-5-6-13(8-15)17-9-11(2)19-12(3)10-17/h11-14,16,18H,4-10H2,1-3H3/t11-,12+,13-,14?/m0/s1.
What are the key properties of 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol?
1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol is sourced from PubChem (CID 71080624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).