[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone

C20H27FN2O2 — CID 166276635

IUPAC[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN(C(=O)C3(CN)CC34CCC4)C2)c1F
InChIInChI=1S/C20H27FN2O2/c1-25-16-7-2-6-15(17(16)21)14-5-3-10-23(11-14)18(24)20(13-22)12-19(20)8-4-9-19/h2,6-7,14H,3-5,8-13,22H2,1H3
InChIKeyUKZIFVMDEMPSJN-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.06
Rot. Bonds4

About [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone

[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 166276635) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID166276635
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN(C(=O)C3(CN)CC34CCC4)C2)c1F
InChIInChI=1S/C20H27FN2O2/c1-25-16-7-2-6-15(17(16)21)14-5-3-10-23(11-14)18(24)20(13-22)12-19(20)8-4-9-19/h2,6-7,14H,3-5,8-13,22H2,1H3
InChIKeyUKZIFVMDEMPSJN-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone (CID 166276635) is [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2CCCN(C(=O)C3(CN)CC34CCC4)C2)c1F.
What is the InChIKey of [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is UKZIFVMDEMPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-25-16-7-2-6-15(17(16)21)14-5-3-10-23(11-14)18(24)20(13-22)12-19(20)8-4-9-19/h2,6-7,14H,3-5,8-13,22H2,1H3.
What are the key properties of [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone?
[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166276635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).