[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone

C20H30FN3O2 — CID 89112813

IUPAC[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone
SMILESCc1cc(N)c(F)cc1C1CCN(C(=O)[C@@H]2COCCN2C(C)C)CC1
InChIInChI=1S/C20H30FN3O2/c1-13(2)24-8-9-26-12-19(24)20(25)23-6-4-15(5-7-23)16-11-17(21)18(22)10-14(16)3/h10-11,13,15,19H,4-9,12,22H2,1-3H3/t19-/m0/s1
InChIKeyQYEAONSPRZZUJC-IBGZPJMESA-N
MW363.48 g/mol
LogP2.53
Rot. Bonds3

About [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone

[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone (PubChem CID 89112813) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone
PubChem CID89112813
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone
SMILESCc1cc(N)c(F)cc1C1CCN(C(=O)[C@@H]2COCCN2C(C)C)CC1
InChIInChI=1S/C20H30FN3O2/c1-13(2)24-8-9-26-12-19(24)20(25)23-6-4-15(5-7-23)16-11-17(21)18(22)10-14(16)3/h10-11,13,15,19H,4-9,12,22H2,1-3H3/t19-/m0/s1
InChIKeyQYEAONSPRZZUJC-IBGZPJMESA-N
XLogP2.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone?
The IUPAC name of [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone (CID 89112813) is [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone.
What is the SMILES notation for [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone?
The canonical SMILES for [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone is Cc1cc(N)c(F)cc1C1CCN(C(=O)[C@@H]2COCCN2C(C)C)CC1.
What is the InChIKey of [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone?
The InChIKey is QYEAONSPRZZUJC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-13(2)24-8-9-26-12-19(24)20(25)23-6-4-15(5-7-23)16-11-17(21)18(22)10-14(16)3/h10-11,13,15,19H,4-9,12,22H2,1-3H3/t19-/m0/s1.
What are the key properties of [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone?
[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone has a molecular weight of 363.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]-[(3S)-4-propan-2-ylmorpholin-3-yl]methanone is sourced from PubChem (CID 89112813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).