(3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine

C18H28FN3O — CID 133115922

IUPAC(3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine
SMILESCO[C@@H]1CN(C2CCN(c3ccc(F)cc3C)CC2)CC[C@@H]1N
InChIInChI=1S/C18H28FN3O/c1-13-11-14(19)3-4-17(13)21-8-5-15(6-9-21)22-10-7-16(20)18(12-22)23-2/h3-4,11,15-16,18H,5-10,12,20H2,1-2H3/t16-,18+/m0/s1
InChIKeyHRCRNUZGYVPAMD-FUHWJXTLSA-N
MW321.44 g/mol
LogP2.15
Rot. Bonds3

About (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine

(3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine (PubChem CID 133115922) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine
PubChem CID133115922
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name(3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine
SMILESCO[C@@H]1CN(C2CCN(c3ccc(F)cc3C)CC2)CC[C@@H]1N
InChIInChI=1S/C18H28FN3O/c1-13-11-14(19)3-4-17(13)21-8-5-15(6-9-21)22-10-7-16(20)18(12-22)23-2/h3-4,11,15-16,18H,5-10,12,20H2,1-2H3/t16-,18+/m0/s1
InChIKeyHRCRNUZGYVPAMD-FUHWJXTLSA-N
XLogP2.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine?
The IUPAC name of (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine (CID 133115922) is (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine is CO[C@@H]1CN(C2CCN(c3ccc(F)cc3C)CC2)CC[C@@H]1N.
What is the InChIKey of (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine?
The InChIKey is HRCRNUZGYVPAMD-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-13-11-14(19)3-4-17(13)21-8-5-15(6-9-21)22-10-7-16(20)18(12-22)23-2/h3-4,11,15-16,18H,5-10,12,20H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine?
(3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine has a molecular weight of 321.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 133115922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).