[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol

C14H23FN4O2 — CID 131900510

IUPAC[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
SMILESCOc1nc(NCCCN2CCCC(CO)C2)ncc1F
InChIInChI=1S/C14H23FN4O2/c1-21-13-12(15)8-17-14(18-13)16-5-3-7-19-6-2-4-11(9-19)10-20/h8,11,20H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyBRBYUAXEZLHCDW-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.13
Rot. Bonds7

About [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol

[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol (PubChem CID 131900510) has the molecular formula C14H23FN4O2 and a molecular weight of 298.36 g/mol. Its IUPAC name is [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
PubChem CID131900510
Molecular FormulaC14H23FN4O2
Molecular Weight298.36 g/mol
Exact Mass298.18
IUPAC Name[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
SMILESCOc1nc(NCCCN2CCCC(CO)C2)ncc1F
InChIInChI=1S/C14H23FN4O2/c1-21-13-12(15)8-17-14(18-13)16-5-3-7-19-6-2-4-11(9-19)10-20/h8,11,20H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyBRBYUAXEZLHCDW-UHFFFAOYSA-N
XLogP1.13
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]methyl}cyclopentyl)methanol
CID 122560704
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
2-[(2S)-1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
CID 129619767
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
5-fluoro-4-methoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129621022
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 164632907
(3S)-1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidine-3-carboxamide
CID 171359925
(4aS*,8aS*)-2-(5-fluoro-4-methoxy-2-pyrimidinyl)octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72886219

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol (CID 131900510) is [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol is COc1nc(NCCCN2CCCC(CO)C2)ncc1F.
What is the InChIKey of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
The InChIKey is BRBYUAXEZLHCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O2/c1-21-13-12(15)8-17-14(18-13)16-5-3-7-19-6-2-4-11(9-19)10-20/h8,11,20H,2-7,9-10H2,1H3,(H,16,17,18).
What are the key properties of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol has a molecular weight of 298.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131900510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).